High-precision calculations for one- and two-valence atomic systems
Amplitudes::MEoptions

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Options for the matrix_elements() list driver.

The two frequency choices are independent and have no default: see Frequency. The operator frequency usually matters most; the RPA frequency dependence is often very small, so fixed is usually adequate there.

#include <MatrixElements.hpp>

Public Member Functions

 MEoptions (Frequency t_operator_omega, Frequency t_rpa_omega)
 The frequency choices must be made explicitly; there is no default.
 

Public Attributes

Frequency operator_omega
 Frequency of the operator itself; see Frequency.
 
Frequency rpa_omega
 Frequency the RPA is solved at; see Frequency.
 
bool diagonal {true}
 Calculate diagonal matrix elements (only for even-parity operators)
 
bool off_diagonal {true}
 Calculate off-diagonal matrix elements.
 
bool calculate_both {false}
 Calculate both <a||h||b> and <b||h||a>
 
DiracOperator::MatrixElementType type
 Form of matrix element: Reduced, Stretched, or HFConstant.
 
int rpa_iterations {128}
 Maximum RPA iterations (1 corresponds to first-order RPA)
 
bool print {true}
 Print RPA solve progress.
 

Constructor & Destructor Documentation

◆ MEoptions()

Amplitudes::MEoptions::MEoptions ( Frequency  t_operator_omega,
Frequency  t_rpa_omega 
)
inline

The frequency choices must be made explicitly; there is no default.

Member Data Documentation

◆ operator_omega

Frequency Amplitudes::MEoptions::operator_omega

Frequency of the operator itself; see Frequency.

◆ rpa_omega

Frequency Amplitudes::MEoptions::rpa_omega

Frequency the RPA is solved at; see Frequency.

◆ diagonal

bool Amplitudes::MEoptions::diagonal {true}

Calculate diagonal matrix elements (only for even-parity operators)

◆ off_diagonal

bool Amplitudes::MEoptions::off_diagonal {true}

Calculate off-diagonal matrix elements.

◆ calculate_both

bool Amplitudes::MEoptions::calculate_both {false}

Calculate both <a||h||b> and <b||h||a>

◆ type

DiracOperator::MatrixElementType Amplitudes::MEoptions::type
Initial value:
{
DiracOperator::MatrixElementType::Reduced}

Form of matrix element: Reduced, Stretched, or HFConstant.

◆ rpa_iterations

int Amplitudes::MEoptions::rpa_iterations {128}

Maximum RPA iterations (1 corresponds to first-order RPA)

◆ print

bool Amplitudes::MEoptions::print {true}

Print RPA solve progress.


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