Chemistry - Classiq Docs

Members:

Name	Description
`FermionHamiltonianProblem`	Defines an electronic-structure problem using a Fermionic operator and electron count.

FermionHamiltonianProblem

Defines an electronic-structure problem using a Fermionic operator and electron count. Can also be constructed from a MolecularData object using the from_molecule method. Methods:

Name	Description
from_molecule	Constructs a `FermionHamiltonianProblem` from a molecule data.

Attributes:

Name	Type	Description
`fermion_hamiltonian`	`FermionOperator`	The fermionic hamiltonian of the problem. Assumed to be in the block-spin labeling.
`n_orbitals`	`int`	Number of spatial orbitals.
`n_alpha`	`int`	Number of alpha particles.
`n_beta`	`int`	Number of beta particles.
`n_particles`	`tuple[int, int]`	Number of alpha and beta particles.

fermion_hamiltonian

fermion_hamiltonian = fermion_hamiltonian

n_particles

n_particles = n_particles

n_orbitals

n_orbitals = min_n_orbitals

occupied_alpha

occupied_alpha: list[int]

virtual_alpha

virtual_alpha: list[int]

occupied_beta

occupied_beta: list[int]

virtual_beta

virtual_beta: list[int]

occupied

occupied: list[int]

virtual

virtual: list[int]

from_molecule

from_molecule(
cls: ,
molecule: MolecularData,
first_active_index: int = 0,
remove_orbitlas: Sequence[int] | None = None,
remove_orbitals: Sequence[int] | None = None,
op_compression_tol: float = 1e-13
) -> FermionHamiltonianProblem

Constructs a FermionHamiltonianProblem from a molecule data. Parameters:

Name	Type	Description	Default
`cls`	“		required
`molecule`	`MolecularData`	The molecule data.	required
`first_active_index`	`int`	The first active index, indicates all prior indices are freezed.	0
`remove_orbitlas`	`Sequence[int] \| None`		None
`remove_orbitals`	`Sequence[int] \| None`	Active indices to be removed.	None
`op_compression_tol`	`float`	Tolerance for trimming the fermion operator.	1e-13

Returns:

Type: FermionHamiltonianProblem
The fermion hamiltonian problem. Members:

Name	Description
`FermionHamiltonianProblem`	Defines an electronic-structure problem using a Fermionic operator and electron count.
`MappingMethod`	Mapping methods from fermionic operators to qubits operators.
`FermionToQubitMapper`	Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see `MappingMethod`).

FermionHamiltonianProblem

Defines an electronic-structure problem using a Fermionic operator and electron count. Can also be constructed from a MolecularData object using the from_molecule method. Methods:

Name	Description
from_molecule	Constructs a `FermionHamiltonianProblem` from a molecule data.

Attributes:

Name	Type	Description
`fermion_hamiltonian`	`FermionOperator`	The fermionic hamiltonian of the problem. Assumed to be in the block-spin labeling.
`n_orbitals`	`int`	Number of spatial orbitals.
`n_alpha`	`int`	Number of alpha particles.
`n_beta`	`int`	Number of beta particles.
`n_particles`	`tuple[int, int]`	Number of alpha and beta particles.

fermion_hamiltonian

fermion_hamiltonian = fermion_hamiltonian

n_particles

n_particles = n_particles

n_orbitals

n_orbitals = min_n_orbitals

occupied_alpha

occupied_alpha: list[int]

virtual_alpha

virtual_alpha: list[int]

occupied_beta

occupied_beta: list[int]

virtual_beta

virtual_beta: list[int]

occupied

occupied: list[int]

virtual

virtual: list[int]

from_molecule

from_molecule(
cls: ,
molecule: MolecularData,
first_active_index: int = 0,
remove_orbitlas: Sequence[int] | None = None,
remove_orbitals: Sequence[int] | None = None,
op_compression_tol: float = 1e-13
) -> FermionHamiltonianProblem

Constructs a FermionHamiltonianProblem from a molecule data. Parameters:

Name	Type	Description	Default
`cls`	“		required
`molecule`	`MolecularData`	The molecule data.	required
`first_active_index`	`int`	The first active index, indicates all prior indices are freezed.	0
`remove_orbitlas`	`Sequence[int] \| None`		None
`remove_orbitals`	`Sequence[int] \| None`	Active indices to be removed.	None
`op_compression_tol`	`float`	Tolerance for trimming the fermion operator.	1e-13

Returns:

Type: FermionHamiltonianProblem
The fermion hamiltonian problem.

MappingMethod

Mapping methods from fermionic operators to qubits operators. Attributes:

Name	Type	Description
JORDAN_WIGNER
BRAVYI_KITAEV

JORDAN_WIGNER

JORDAN_WIGNER = 'jw'

BRAVYI_KITAEV

BRAVYI_KITAEV = 'bk'

FermionToQubitMapper

Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see MappingMethod). Methods:

Name	Description
map	Maps the given fermionic operator to a qubits operator using the mapper’s configuration.
get_num_qubits	Gets the number of qubits after mapping the given problem into qubits space.

Attributes:

Name	Type	Description
`method`	`MappingMethod`	The mapping method.

method

method = method

map

map(
self: ,
fermion_op: FermionOperator,
args: Any = (),
kwargs: Any = 
) -> QubitOperator

Maps the given fermionic operator to a qubits operator using the mapper’s configuration. Parameters:

Name	Type	Description	Default
`self`	“		required
`fermion_op`	`FermionOperator`	A fermionic operator.	required
`args`	`Any`		()
`kwargs`	`Any`

Returns:

Type: QubitOperator
The mapped qubits operator.

get_num_qubits

get_num_qubits(
self: ,
problem: FermionHamiltonianProblem
) -> int

Gets the number of qubits after mapping the given problem into qubits space. Parameters:

Name	Type	Description	Default
`self`	“		required
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required

Returns:

Type: int
The number of qubits. Members:

Name	Description
`FermionToQubitMapper`	Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see `MappingMethod`).
`MappingMethod`	Mapping methods from fermionic operators to qubits operators.
`FermionHamiltonianProblem`	Defines an electronic-structure problem using a Fermionic operator and electron count.
`Z2SymTaperMapper`	Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see `MappingMethod`), and taking advantage of Z…

FermionToQubitMapper

Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see MappingMethod). Methods:

Name	Description
map	Maps the given fermionic operator to a qubits operator using the mapper’s configuration.
get_num_qubits	Gets the number of qubits after mapping the given problem into qubits space.

Attributes:

Name	Type	Description
`method`	`MappingMethod`	The mapping method.

method

method = method

map

map(
self: ,
fermion_op: FermionOperator,
args: Any = (),
kwargs: Any = 
) -> QubitOperator

Maps the given fermionic operator to a qubits operator using the mapper’s configuration. Parameters:

Name	Type	Description	Default
`self`	“		required
`fermion_op`	`FermionOperator`	A fermionic operator.	required
`args`	`Any`		()
`kwargs`	`Any`

Returns:

Type: QubitOperator
The mapped qubits operator.

get_num_qubits

get_num_qubits(
self: ,
problem: FermionHamiltonianProblem
) -> int

Gets the number of qubits after mapping the given problem into qubits space. Parameters:

Name	Type	Description	Default
`self`	“		required
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required

Returns:

Type: int
The number of qubits.

MappingMethod

Mapping methods from fermionic operators to qubits operators. Attributes:

Name	Type	Description
JORDAN_WIGNER
BRAVYI_KITAEV

JORDAN_WIGNER

JORDAN_WIGNER = 'jw'

BRAVYI_KITAEV

BRAVYI_KITAEV = 'bk'

FermionHamiltonianProblem

Defines an electronic-structure problem using a Fermionic operator and electron count. Can also be constructed from a MolecularData object using the from_molecule method. Methods:

Name	Description
from_molecule	Constructs a `FermionHamiltonianProblem` from a molecule data.

Attributes:

Name	Type	Description
`fermion_hamiltonian`	`FermionOperator`	The fermionic hamiltonian of the problem. Assumed to be in the block-spin labeling.
`n_orbitals`	`int`	Number of spatial orbitals.
`n_alpha`	`int`	Number of alpha particles.
`n_beta`	`int`	Number of beta particles.
`n_particles`	`tuple[int, int]`	Number of alpha and beta particles.

fermion_hamiltonian

fermion_hamiltonian = fermion_hamiltonian

n_particles

n_particles = n_particles

n_orbitals

n_orbitals = min_n_orbitals

occupied_alpha

occupied_alpha: list[int]

virtual_alpha

virtual_alpha: list[int]

occupied_beta

occupied_beta: list[int]

virtual_beta

virtual_beta: list[int]

occupied

occupied: list[int]

virtual

virtual: list[int]

from_molecule

from_molecule(
cls: ,
molecule: MolecularData,
first_active_index: int = 0,
remove_orbitlas: Sequence[int] | None = None,
remove_orbitals: Sequence[int] | None = None,
op_compression_tol: float = 1e-13
) -> FermionHamiltonianProblem

Constructs a FermionHamiltonianProblem from a molecule data. Parameters:

Name	Type	Description	Default
`cls`	“		required
`molecule`	`MolecularData`	The molecule data.	required
`first_active_index`	`int`	The first active index, indicates all prior indices are freezed.	0
`remove_orbitlas`	`Sequence[int] \| None`		None
`remove_orbitals`	`Sequence[int] \| None`	Active indices to be removed.	None
`op_compression_tol`	`float`	Tolerance for trimming the fermion operator.	1e-13

Returns:

Type: FermionHamiltonianProblem
The fermion hamiltonian problem.

Z2SymTaperMapper

Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see MappingMethod), and taking advantage of Z2 symmetries in order to taper off qubits. Methods:

Name	Description
set_sector	Sets the symmetry sector coefficients.
map	Maps the given fermionic operator to qubits operator by using the mapper’s method, and subsequently by tapering off qubits according to Z2 symmetries.
get_num_qubits	Gets the number of qubits after mapping the given problem into qubits space.
from_problem	Initializes a `Z2SymTaperMapper` object from a fermion problem (i.e.

Attributes:

Name	Type	Description
`method`	`MappingMethod`	The mapping method.
`generators`	`tuple[QubitOperator, ...]`	Generators representing the Z2 symmetries.
`x_ops`	`tuple[QubitOperator, ...]`	Single-qubit X operations, such that each operation anti-commutes with its matching generator and commutes with all other generators.

generators

generators: tuple[QubitOperator, ...]

x_ops

x_ops: tuple[QubitOperator, ...]

set_sector

set_sector(
self: ,
sector: Sequence[int]
) -> None

Sets the symmetry sector coefficients. Parameters:

Name	Type	Description	Default
`self`	“		required
`sector`	`Sequence[int]`	(Sequence[int]): Symmetry sector coefficients, each is 1 or -1.	required

map

map(
self: ,
fermion_op: FermionOperator,
args: Any = (),
is_invariant: bool = False,
kwargs: Any = 
) -> QubitOperator

Maps the given fermionic operator to qubits operator by using the mapper’s method, and subsequently by tapering off qubits according to Z2 symmetries. Parameters:

Name	Type	Description	Default
`self`	“		required
`fermion_op`	`FermionOperator`	A fermionic operator.	required
`args`	`Any`		()
`is_invariant`	`bool`	If `False`, the operator is not necessarily in the symmetry subspace, and thus gets projected onto it before tapering.	False
`kwargs`	`Any`

Returns:

Type: QubitOperator
The mapped qubits operator.

get_num_qubits

get_num_qubits(
self: ,
problem: FermionHamiltonianProblem
) -> int

Gets the number of qubits after mapping the given problem into qubits space. Parameters:

Name	Type	Description	Default
`self`	“		required
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required

Returns:

Type: int
The number of qubits.

from_problem

from_problem(
cls: ,
problem: FermionHamiltonianProblem,
method: MappingMethod = MappingMethod.JORDAN_WIGNER,
sector_from_hartree_fock: bool = True,
tol: float = 1e-14
) -> Z2SymTaperMapper

Initializes a Z2SymTaperMapper object from a fermion problem (i.e. computing the Z2 symmetries from the problem definition). Parameters:

Name	Type	Description	Default
`cls`	“		required
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required
`method`	`MappingMethod`	The mapping method.	MappingMethod.JORDAN_WIGNER
`sector_from_hartree_fock`	`bool`	Whether to compute the symmetry sector coefficients according to the Hartree-Fock state.	True
`tol`	`float`	Tolerance for trimming off terms.	1e-14

Returns:

Type: Z2SymTaperMapper
The Z2 symmetries taper mapper. Members:

Name	Description
`FermionToQubitMapper`	Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see `MappingMethod`).
`FermionHamiltonianProblem`	Defines an electronic-structure problem using a Fermionic operator and electron count.
`get_hf_fermion_op`	Constructs a fermion operator that creates the Hartree-Fock reference state in block-spin ordering.
`get_hf_state`	Computes the qubits state after applying the Hartree-Fock operator defined by the given problem and mapper.

FermionToQubitMapper

Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see MappingMethod). Methods:

Name	Description
map	Maps the given fermionic operator to a qubits operator using the mapper’s configuration.
get_num_qubits	Gets the number of qubits after mapping the given problem into qubits space.

Attributes:

Name	Type	Description
`method`	`MappingMethod`	The mapping method.

method

method = method

map

map(
self: ,
fermion_op: FermionOperator,
args: Any = (),
kwargs: Any = 
) -> QubitOperator

Maps the given fermionic operator to a qubits operator using the mapper’s configuration. Parameters:

Name	Type	Description	Default
`self`	“		required
`fermion_op`	`FermionOperator`	A fermionic operator.	required
`args`	`Any`		()
`kwargs`	`Any`

Returns:

Type: QubitOperator
The mapped qubits operator.

get_num_qubits

get_num_qubits(
self: ,
problem: FermionHamiltonianProblem
) -> int

Gets the number of qubits after mapping the given problem into qubits space. Parameters:

Name	Type	Description	Default
`self`	“		required
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required

Returns:

Type: int
The number of qubits.

FermionHamiltonianProblem

Defines an electronic-structure problem using a Fermionic operator and electron count. Can also be constructed from a MolecularData object using the from_molecule method. Methods:

Name	Description
from_molecule	Constructs a `FermionHamiltonianProblem` from a molecule data.

Attributes:

Name	Type	Description
`fermion_hamiltonian`	`FermionOperator`	The fermionic hamiltonian of the problem. Assumed to be in the block-spin labeling.
`n_orbitals`	`int`	Number of spatial orbitals.
`n_alpha`	`int`	Number of alpha particles.
`n_beta`	`int`	Number of beta particles.
`n_particles`	`tuple[int, int]`	Number of alpha and beta particles.

fermion_hamiltonian

fermion_hamiltonian = fermion_hamiltonian

n_particles

n_particles = n_particles

n_orbitals

n_orbitals = min_n_orbitals

occupied_alpha

occupied_alpha: list[int]

virtual_alpha

virtual_alpha: list[int]

occupied_beta

occupied_beta: list[int]

virtual_beta

virtual_beta: list[int]

occupied

occupied: list[int]

virtual

virtual: list[int]

from_molecule

from_molecule(
cls: ,
molecule: MolecularData,
first_active_index: int = 0,
remove_orbitlas: Sequence[int] | None = None,
remove_orbitals: Sequence[int] | None = None,
op_compression_tol: float = 1e-13
) -> FermionHamiltonianProblem

Constructs a FermionHamiltonianProblem from a molecule data. Parameters:

Name	Type	Description	Default
`cls`	“		required
`molecule`	`MolecularData`	The molecule data.	required
`first_active_index`	`int`	The first active index, indicates all prior indices are freezed.	0
`remove_orbitlas`	`Sequence[int] \| None`		None
`remove_orbitals`	`Sequence[int] \| None`	Active indices to be removed.	None
`op_compression_tol`	`float`	Tolerance for trimming the fermion operator.	1e-13

Returns:

Type: FermionHamiltonianProblem
The fermion hamiltonian problem.

get_hf_fermion_op

get_hf_fermion_op(
problem: FermionHamiltonianProblem
) -> FermionOperator

Constructs a fermion operator that creates the Hartree-Fock reference state in block-spin ordering. Parameters:

Name	Type	Description	Default
`problem`	`FermionHamiltonianProblem`	The fermion problem. The Hartree-Fock fermion operator depends only on the number of spatial orbitals and the number of alpha and beta particles.	required

Returns:

Type: FermionOperator
The Hartree-Fock fermion operator.

get_hf_state

get_hf_state(
problem: FermionHamiltonianProblem,
mapper: FermionToQubitMapper
) -> list[bool]

Computes the qubits state after applying the Hartree-Fock operator defined by the given problem and mapper. The Qmod function prepare_basis_state can be used on the returned value to allocate and initialize the qubits array. Parameters:

Name	Type	Description	Default
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required
`mapper`	`FermionToQubitMapper`	The mapper from fermion operator to qubits operator.	required

Returns:

Type: list[bool]
The qubits state, given as a list of boolean values for each qubit. Members:

Name	Description
`FermionToQubitMapper`	Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see `MappingMethod`).
`FermionHamiltonianProblem`	Defines an electronic-structure problem using a Fermionic operator and electron count.
`SparsePauliOp`	Represents a collection of sparse Pauli operators.
`get_ucc_hamiltonians`	Computes the UCC hamiltonians of the given problem in the desired excitations, using the given mapper.
`get_excitations`	Gets all the possible excitations of the given problem according to the given number of excitations, preserving the particles spin.

FermionToQubitMapper

Mapper between fermionic operators to qubits operators, using one of the supported mapping methods (see MappingMethod). Methods:

Name	Description
map	Maps the given fermionic operator to a qubits operator using the mapper’s configuration.
get_num_qubits	Gets the number of qubits after mapping the given problem into qubits space.

Attributes:

Name	Type	Description
`method`	`MappingMethod`	The mapping method.

method

method = method

map

map(
self: ,
fermion_op: FermionOperator,
args: Any = (),
kwargs: Any = 
) -> QubitOperator

Maps the given fermionic operator to a qubits operator using the mapper’s configuration. Parameters:

Name	Type	Description	Default
`self`	“		required
`fermion_op`	`FermionOperator`	A fermionic operator.	required
`args`	`Any`		()
`kwargs`	`Any`

Returns:

Type: QubitOperator
The mapped qubits operator.

get_num_qubits

get_num_qubits(
self: ,
problem: FermionHamiltonianProblem
) -> int

Gets the number of qubits after mapping the given problem into qubits space. Parameters:

Name	Type	Description	Default
`self`	“		required
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required

Returns:

Type: int
The number of qubits.

FermionHamiltonianProblem

Defines an electronic-structure problem using a Fermionic operator and electron count. Can also be constructed from a MolecularData object using the from_molecule method. Methods:

Name	Description
from_molecule	Constructs a `FermionHamiltonianProblem` from a molecule data.

Attributes:

Name	Type	Description
`fermion_hamiltonian`	`FermionOperator`	The fermionic hamiltonian of the problem. Assumed to be in the block-spin labeling.
`n_orbitals`	`int`	Number of spatial orbitals.
`n_alpha`	`int`	Number of alpha particles.
`n_beta`	`int`	Number of beta particles.
`n_particles`	`tuple[int, int]`	Number of alpha and beta particles.

fermion_hamiltonian

fermion_hamiltonian = fermion_hamiltonian

n_particles

n_particles = n_particles

n_orbitals

n_orbitals = min_n_orbitals

occupied_alpha

occupied_alpha: list[int]

virtual_alpha

virtual_alpha: list[int]

occupied_beta

occupied_beta: list[int]

virtual_beta

virtual_beta: list[int]

occupied

occupied: list[int]

virtual

virtual: list[int]

from_molecule

from_molecule(
cls: ,
molecule: MolecularData,
first_active_index: int = 0,
remove_orbitlas: Sequence[int] | None = None,
remove_orbitals: Sequence[int] | None = None,
op_compression_tol: float = 1e-13
) -> FermionHamiltonianProblem

Constructs a FermionHamiltonianProblem from a molecule data. Parameters:

Name	Type	Description	Default
`cls`	“		required
`molecule`	`MolecularData`	The molecule data.	required
`first_active_index`	`int`	The first active index, indicates all prior indices are freezed.	0
`remove_orbitlas`	`Sequence[int] \| None`		None
`remove_orbitals`	`Sequence[int] \| None`	Active indices to be removed.	None
`op_compression_tol`	`float`	Tolerance for trimming the fermion operator.	1e-13

Returns:

Type: FermionHamiltonianProblem
The fermion hamiltonian problem.

SparsePauliOp

Represents a collection of sparse Pauli operators. Attributes:

Name	Type	Description
`terms`	`CArray[SparsePauliTerm]`	The list of chosen sparse Pauli terms, corresponds to a product of them. (See: SparsePauliTerm)
`num_qubits`	`CInt`	The number of qubits in the Hamiltonian.

terms

terms: list[SparsePauliTerm]

num_qubits

num_qubits: int

get_ucc_hamiltonians

get_ucc_hamiltonians(
problem: FermionHamiltonianProblem,
mapper: FermionToQubitMapper,
excitations: int | Sequence[int]
) -> list[SparsePauliOp]

Computes the UCC hamiltonians of the given problem in the desired excitations, using the given mapper. Parameters:

Name	Type	Description	Default
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required
`mapper`	`FermionToQubitMapper`	The mapper from fermion to qubits operators.	required
`excitations`	`int \| Sequence[int]`	A single desired excitation or an excitations list.	required

Returns:

Type: list[SparsePauliOp]
The UCC hamiltonians.

get_excitations

get_excitations(
problem: FermionHamiltonianProblem,
num_excitations: int
) -> set[tuple[tuple[int, …], tuple[int, …]]]

Gets all the possible excitations of the given problem according to the given number of excitations, preserving the particles spin. Parameters:

Name	Type	Description	Default
`problem`	`FermionHamiltonianProblem`	The fermion problem.	required
`num_excitations`	`int`	Number of excitations.	required

Returns:

Type: set[tuple[tuple[int, ...], tuple[int, ...]]]
A set of all possible excitations, specified as a pair of source and target indices.

Providers

Applications

Qmod

​FermionHamiltonianProblem

​fermion_hamiltonian

​n_particles

​n_orbitals

​occupied_alpha

​virtual_alpha

​occupied_beta

​virtual_beta

​occupied

​virtual

​from_molecule

​FermionHamiltonianProblem

​fermion_hamiltonian

​n_particles

​n_orbitals

​occupied_alpha

​virtual_alpha

​occupied_beta

​virtual_beta

​occupied

​virtual

​from_molecule

​MappingMethod

​JORDAN_WIGNER

​BRAVYI_KITAEV

​FermionToQubitMapper

​method

​map

​get_num_qubits

​FermionToQubitMapper

​method

​map

​get_num_qubits

​MappingMethod

​JORDAN_WIGNER

​BRAVYI_KITAEV

​FermionHamiltonianProblem

​fermion_hamiltonian

​n_particles

​n_orbitals

​occupied_alpha

​virtual_alpha

​occupied_beta

​virtual_beta

​occupied

​virtual

​from_molecule

​Z2SymTaperMapper

​generators

​x_ops

​set_sector

​map

​get_num_qubits

​from_problem

​FermionToQubitMapper

​method

​map

​get_num_qubits

​FermionHamiltonianProblem

​fermion_hamiltonian

​n_particles

​n_orbitals

​occupied_alpha

​virtual_alpha

​occupied_beta

​virtual_beta

​occupied

​virtual

​from_molecule

​get_hf_fermion_op

​get_hf_state

​FermionToQubitMapper

​method

​map

​get_num_qubits

​FermionHamiltonianProblem

​fermion_hamiltonian

FermionHamiltonianProblem

fermion_hamiltonian

n_particles

n_orbitals

occupied_alpha

virtual_alpha

occupied_beta

virtual_beta

occupied

virtual

from_molecule

FermionHamiltonianProblem

fermion_hamiltonian

n_particles

n_orbitals

occupied_alpha

virtual_alpha

occupied_beta

virtual_beta

occupied

virtual

from_molecule

MappingMethod

JORDAN_WIGNER

BRAVYI_KITAEV

FermionToQubitMapper

method

map

get_num_qubits

FermionToQubitMapper

method

map

get_num_qubits

MappingMethod

JORDAN_WIGNER

BRAVYI_KITAEV

FermionHamiltonianProblem

fermion_hamiltonian

n_particles

n_orbitals

occupied_alpha

virtual_alpha

occupied_beta

virtual_beta

occupied

virtual

from_molecule

Z2SymTaperMapper

generators

x_ops

set_sector

map

get_num_qubits

from_problem

FermionToQubitMapper

method

map

get_num_qubits

FermionHamiltonianProblem

fermion_hamiltonian

n_particles

n_orbitals

occupied_alpha

virtual_alpha

occupied_beta

virtual_beta

occupied

virtual

from_molecule

get_hf_fermion_op

get_hf_state

FermionToQubitMapper

method

map

get_num_qubits

FermionHamiltonianProblem

fermion_hamiltonian

n_particles

n_orbitals

occupied_alpha