Cubic Response Functions

Cubic Response Functions#

Available Methods#

Example Input File#

An example using CCS is given below:

@method settings
basis: STO-3G
@end

@memory
max_mem: 1
@end

@jobs
task: ccs
@end

@ccs
restart: False
solver_thresh: 1.0E-12
operators: DIPLEN ANGMOM DIPVEL DIPLEN
frequency: 0.1
ratio: 3 -1 -1 -1
@end

@scf
conv_thresh: 1.0E-12
@end

@molecule
charge: 0
multiplicity: 1
units: bohr
xyz:
O        0.0000000000    0.0000000000    0.0000000000
H        0.0000000000    1.4304281903    1.1071565216
H        0.0000000000   -1.4304281903    1.1071565216
@end

Relevant Keywords#

For keywords, go to Relevant Keywords in the linear response section.

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