## Parallel implementation of electronic structure energy, gradient, and Hessian calculations.

- V Lotrich, N Flocke, +4 authors R J Bartlett
- The Journal of chemical physics
- 2008

- Published 2015 in The Journal of chemical physics
DOI:10.1063/1.4928736

Similarity transformed equation-of-motion method, based on linearly approximated explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] model, has been formulated and implemented. An extension of similarity transformation operator is introduced in order to treat short-range correlation effects for excited states. Additionally, effective… CONTINUE READING

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