Cargando…
Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics
[Image: see text] In coupled cluster theory, the electronic states are biorthonormal in the sense that the left states are orthonormal to the right states. Here, we present an extension of this formalism to a left and right total molecular wave function. Starting from left and right Born–Huang expan...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2020
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8016204/ https://www.ncbi.nlm.nih.gov/pubmed/33338379 http://dx.doi.org/10.1021/acs.jctc.0c00730 |