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RESPONSE

Performs SCF linear response computations.

General

OMEGA

Array that specifies the desired frequencies of the incident radiation field in CCLR calculations. If only one element is given, the units will be assumed to be atomic units. If more than one element is given, then the units must be specified as the final element of the array. Acceptable units are HZ, NM, EV, and AU.

  • Type: array
  • Default: No Default

PROPERTY

Array that specifies the desired frequencies of the incident radiation field in CCLR calculations. If only one element is given, the units will be assumed to be atomic units. If more than one element is given, then the units must be specified as the final element of the array. Acceptable units are HZ, NM, EV, and AU.

  • Type: string
  • Possible Values: POLARIZABILITY, ROTATION, ROA, ALL
  • Default: POLARIZABILITY

REFERENCE

Reference wavefunction type

  • Type: string
  • Default: RHF

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