Monomial quantum operator. More...

#include <MonomialOperator.hpp>

Inheritance diagram for Pomerol::MonomialOperator:

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Collaboration diagram for Pomerol::MonomialOperator:

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Public Types
using	BlocksBimap = boost::bimaps::bimap< boost::bimaps::set_of< BlockNumber >, boost::bimaps::set_of< BlockNumber > >
	A bi-map container for connections between invariant subspaces established by a monomial operator. More...

using	BlockMapping = BlocksBimap::value_type
	A single subspace-to-subspace connection established by a monomial operator. More...

Public Types inherited from Pomerol::ComputableObject
enum	StatusEnum { Constructed , Prepared , Computed }
	Computation status of the object. More...

Public Member Functions
template<typename ScalarType , typename... IndexTypes>
	MonomialOperator (libcommute::expression< ScalarType, IndexTypes... > const &MO, HilbertSpace< IndexTypes... > const &HS, StatesClassification const &S, Hamiltonian const &H)

bool	isComplex () const
	Is the monomial operator a complex-valued matrix? More...

MonomialOperatorPart &	getPartFromLeftIndex (BlockNumber LeftIndex)

MonomialOperatorPart const &	getPartFromLeftIndex (BlockNumber LeftIndex) const

MonomialOperatorPart &	getPartFromRightIndex (BlockNumber RightIndex)

MonomialOperatorPart const &	getPartFromRightIndex (BlockNumber RightIndex) const

BlockNumber	getLeftIndex (BlockNumber RightIndex) const

BlockNumber	getRightIndex (BlockNumber LeftIndex) const

BlocksBimap const &	getBlockMapping () const

template<typename... IndexTypes>
void	prepare (HilbertSpace< IndexTypes... > const &HS)

void	compute (RealType Tolerance=1e-8, MPI_Comm const &comm=MPI_COMM_WORLD)

Public Member Functions inherited from Pomerol::ComputableObject
	ComputableObject ()=default

StatusEnum	getStatus () const
	Return the current computation status. More...

void	setStatus (StatusEnum Status_in)

Protected Member Functions
template<bool Complex>
LOperatorTypeRC< Complex > const &	getMOp () const

Protected Attributes
bool	MOpComplex
	Whether the MOp object is complex-valued. More...

std::shared_ptr< void >	MOp
	A type-erased real/complex-valued `libcommute::loperator` object. More...

bool	Complex
	Whether the stored parts are complex-valued. More...

StatesClassification const &	S
	Information about invariant subspaces of the Hamiltonian. More...

Hamiltonian const &	H
	The Hamiltonian. More...

std::unordered_map< std::size_t, BlockNumber >	mapPartsFromRight
	A map between positions of parts in the parts list and the respective right subspace indices. More...

std::unordered_map< std::size_t, BlockNumber >	mapPartsFromLeft
	A map between positions of parts in the parts list and the respective left subspace indices. More...

BlocksBimap	LeftRightBlocks
	Left-to-right connections between invariant subspaces established by this monomial operator. More...

std::vector< MonomialOperatorPart >	parts
	List of parts (matrix blocks). More...

Protected Attributes inherited from Pomerol::ComputableObject
StatusEnum	Status = Constructed
	Current computation status. More...

Friends
class	FieldOperatorContainer

Detailed Description

Monomial quantum operator.

This class stores an operator \(\hat M\), which is a monomial, i.e. a product of fermionic and/or bosonic creation/annihilation operators. The operator is stored as a list of matrix blocks (MonomialOperatorPart), each connecting a pair of invariant subspaces of the Hamiltonian. For a given right invariant subspace, there exists at most one part connecting it to a left subspace (and the other way around).

Definition at line 57 of file MonomialOperator.hpp.

Member Typedef Documentation

◆ BlockMapping

using Pomerol::MonomialOperator::BlockMapping = BlocksBimap::value_type

A single subspace-to-subspace connection established by a monomial operator.

Definition at line 62 of file MonomialOperator.hpp.

◆ BlocksBimap

using Pomerol::MonomialOperator::BlocksBimap = boost::bimaps::bimap<boost::bimaps::set_of<BlockNumber>, boost::bimaps::set_of<BlockNumber> >

A bi-map container for connections between invariant subspaces established by a monomial operator.

Definition at line 60 of file MonomialOperator.hpp.

Constructor & Destructor Documentation

◆ MonomialOperator()

template<typename ScalarType , typename... IndexTypes>

Pomerol::MonomialOperator::MonomialOperator	(	libcommute::expression< ScalarType, IndexTypes... > const &	MO,
		HilbertSpace< IndexTypes... > const &	HS,
		StatesClassification const &	S,
		Hamiltonian const &	H
	)

inline

Constructor.

Template Parameters

ScalarType	Scalar type (either double or std::complex<double>) of the expression `MO`.
IndexTypes	Types of indices carried by operators in the expression `MO`.

Parameters

[in]	MO	Expression of the monomial operator \(\hat M\).
[in]	HS	Hilbert space.
[in]	S	Information about invariant subspaces of the Hamiltonian.
[in]	H	The Hamiltonian.

Precondition: MO is a monomial operator.

Definition at line 109 of file MonomialOperator.hpp.

Member Function Documentation

◆ compute()

void Pomerol::MonomialOperator::compute	(	RealType	Tolerance = `1e-8`,
		MPI_Comm const &	comm = `MPI_COMM_WORLD`
	)

Compute matrix elements of all parts in parallel.

Parameters

[in]	Tolerance	Matrix elements with the absolute value equal or below this threshold are considered negligible.
[in]	comm	MPI communicator used to parallelize the computation.

Precondition: prepare() has been called.

◆ getBlockMapping()

BlocksBimap const& Pomerol::MonomialOperator::getBlockMapping ( ) const

Return a constant reference to the left-to-right connection map.

Precondition: prepare() has been called.

◆ getLeftIndex()

BlockNumber Pomerol::MonomialOperator::getLeftIndex ( BlockNumber RightIndex ) const

For a given right invariant subspace, return the corresponding left invariant subspace.

Parameters

[in] RightIndex Index of the right subspace.

Returns: Index of the left subspace.

Precondition: prepare() has been called.

◆ getMOp()

template<bool Complex>

LOperatorTypeRC<Complex> const& Pomerol::MonomialOperator::getMOp ( ) const

inlineprotected

Return a constant reference to the stored libcommute::loperator object.

Template Parameters

Complex Request a reference to the complex-valued linear operator.

Precondition: The compile-time value of Complex must agree with the result of isComplex().

Definition at line 75 of file MonomialOperator.hpp.

◆ getPartFromLeftIndex() [1/2]

MonomialOperatorPart& Pomerol::MonomialOperator::getPartFromLeftIndex ( BlockNumber LeftIndex )

Return a reference to the part by a given left invariant subspace.

Parameters

[in] LeftIndex Index of the left invariant subspace

Precondition: prepare() has been called.

◆ getPartFromLeftIndex() [2/2]

MonomialOperatorPart const& Pomerol::MonomialOperator::getPartFromLeftIndex ( BlockNumber LeftIndex ) const

Return a constant reference to the part by a given left invariant subspace.

Parameters

[in] LeftIndex Index of the left invariant subspace

Precondition: prepare() has been called.

◆ getPartFromRightIndex() [1/2]

MonomialOperatorPart& Pomerol::MonomialOperator::getPartFromRightIndex ( BlockNumber RightIndex )

Return a reference to the part by a given right invariant subspace.

Parameters

[in] RightIndex Index of the right invariant subspace

Precondition: prepare() has been called.

◆ getPartFromRightIndex() [2/2]

MonomialOperatorPart const& Pomerol::MonomialOperator::getPartFromRightIndex ( BlockNumber RightIndex ) const

Return a constant reference to the part by a given right invariant subspace.

Parameters

[in] RightIndex Index of the right invariant subspace

Precondition: prepare() has been called.

◆ getRightIndex()

BlockNumber Pomerol::MonomialOperator::getRightIndex ( BlockNumber LeftIndex ) const

For a given left invariant subspace, return the corresponding right invariant subspace.

Parameters

[in] LeftIndex Index of the left subspace.

Returns: Index of the right subspace.

Precondition: prepare() has been called.

◆ isComplex()

bool Pomerol::MonomialOperator::isComplex ( ) const

inline

Is the monomial operator a complex-valued matrix?

Definition at line 123 of file MonomialOperator.hpp.

◆ prepare()

template<typename... IndexTypes>

void Pomerol::MonomialOperator::prepare ( HilbertSpace< IndexTypes... > const & HS )

inline

Allocate memory for all parts.

Template Parameters

IndexTypes Types of indices carried by operators acting in the Hilbert space HS.

Parameters

[in] HS The Hilbert space.

Definition at line 160 of file MonomialOperator.hpp.

Friends And Related Function Documentation

◆ FieldOperatorContainer

friend class FieldOperatorContainer

friend

Definition at line 65 of file MonomialOperator.hpp.

Field Documentation

◆ Complex

bool Pomerol::MonomialOperator::Complex

protected

Whether the stored parts are complex-valued.

Definition at line 81 of file MonomialOperator.hpp.

◆ H

Hamiltonian const& Pomerol::MonomialOperator::H

protected

The Hamiltonian.

Definition at line 86 of file MonomialOperator.hpp.

◆ LeftRightBlocks

BlocksBimap Pomerol::MonomialOperator::LeftRightBlocks

protected

Left-to-right connections between invariant subspaces established by this monomial operator.

Definition at line 94 of file MonomialOperator.hpp.

◆ mapPartsFromLeft

std::unordered_map<std::size_t, BlockNumber> Pomerol::MonomialOperator::mapPartsFromLeft

protected

A map between positions of parts in the parts list and the respective left subspace indices.

Definition at line 91 of file MonomialOperator.hpp.

◆ mapPartsFromRight

std::unordered_map<std::size_t, BlockNumber> Pomerol::MonomialOperator::mapPartsFromRight

protected

A map between positions of parts in the parts list and the respective right subspace indices.

Definition at line 89 of file MonomialOperator.hpp.

◆ MOp

std::shared_ptr<void> Pomerol::MonomialOperator::MOp

protected

A type-erased real/complex-valued libcommute::loperator object.

Definition at line 70 of file MonomialOperator.hpp.

◆ MOpComplex

bool Pomerol::MonomialOperator::MOpComplex

protected

Whether the MOp object is complex-valued.

Definition at line 68 of file MonomialOperator.hpp.

◆ parts

std::vector<MonomialOperatorPart> Pomerol::MonomialOperator::parts

protected

List of parts (matrix blocks).

Definition at line 97 of file MonomialOperator.hpp.

◆ S

StatesClassification const& Pomerol::MonomialOperator::S

protected

Information about invariant subspaces of the Hamiltonian.

Definition at line 84 of file MonomialOperator.hpp.

The documentation for this class was generated from the following file:

pomerol/MonomialOperator.hpp

Public Types

Public Member Functions

Protected Member Functions

Protected Attributes

Friends

Detailed Description

Member Typedef Documentation

◆ BlockMapping

◆ BlocksBimap

Constructor & Destructor Documentation

◆ MonomialOperator()

Member Function Documentation

◆ compute()

◆ getBlockMapping()

◆ getLeftIndex()

◆ getMOp()

◆ getPartFromLeftIndex() [1/2]

◆ getPartFromLeftIndex() [2/2]

◆ getPartFromRightIndex() [1/2]

◆ getPartFromRightIndex() [2/2]

◆ getRightIndex()

◆ isComplex()

◆ prepare()

Friends And Related Function Documentation

◆ FieldOperatorContainer

Field Documentation

◆ Complex

◆ H

◆ LeftRightBlocks

◆ mapPartsFromLeft

◆ mapPartsFromRight

◆ MOp

◆ MOpComplex

◆ parts

◆ S