Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Nils E. Strand"'
Publikováno v:
Journal of Chemical Theory and Computation. 15:4088-4098
We report the analytical nuclear gradient theory for complete active space second-order perturbation theory (CASPT2) with imaginary shift, which is commonly used to avoid divergence of the perturbation expression. Our formulation is based on the Lagr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53d6893c3932fec98500795a1969ed50
https://doi.org/10.1021/acs.jctc.9b00368
https://doi.org/10.1021/acs.jctc.9b00368
Publikováno v:
Physical Review E. 102
It is well-known that Brownian ratchets can exhibit current reversals, wherein the sign of the current switches as a function of the driving frequency. We introduce a spatial discretization of such a two-dimensional Brownian ratchet to enable spectra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eefda9436f333064b74e381fc9a1ffb4
https://doi.org/10.1103/physreve.102.012141
https://doi.org/10.1103/physreve.102.012141