ADC

Performs Algebraic-Diagrammatic Construction (ADC) propagator computations for excited states.

General

CACHELEVEL

How to cache quantities within the DPD library

  • Type: integer
  • Default: 2

MEMORY

The amount of memory available (in Mb)

  • Type: integer
  • Default: 1000

NEWTON_CONVERGENCE

The convergence criterion for pole searching step.

NORM_TOLERANCE

The cutoff norm of residual vector in SEM step.

NUM_AMPS_PRINT

Number of components of transition amplitudes printed

  • Type: integer
  • Default: 5

POLE_MAXITER

Maximum iteration number in pole searching

  • Type: integer
  • Default: 20

PR

Do use the partial renormalization scheme for the ground state wavefunction?

REFERENCE

Reference wavefunction type

  • Type: string
  • Possible Values: RHF
  • Default: RHF

ROOTS_PER_IRREP

The poles per irrep vector

  • Type: array
  • Default: No Default

SEM_MAXITER

Maximum iteration number in simultaneous expansion method

  • Type: integer
  • Default: 30