Ricc2

Topics

(1/18) > >>

[1] Total CC nergy of an excited state

[2] Including COSMO in two-photon absorption calculations

[3] COSMO-ADC(2) excited gradients

[4] Printing configurations with smaller weights for excited states in ricc2 calc.

[5] Calculating only particular higher-lying excited states (S3-S6) with ADC2/CC2

[6] Getting MP2 or CC2 gradients for S0 in the gradient file without jobex script

[7] spin orbit coupling between excited singlet and triplet states

[8] frequency mismatch in cc density module

[9] Queerness/Issue observed with RI-basis set

Navigation

[0] Up one level

[#] Next page

Go to full version