Matches in SemOpenAlex for { <https://semopenalex.org/work/W2054617775> ?p ?o ?g. }
- W2054617775 endingPage "104" @default.
- W2054617775 startingPage "89" @default.
- W2054617775 abstract "A new class of non-iterative coupled-cluster (CC) methods, which improve the results of standard CC and equation-of-motion (EOM) CC calculations for ground and excited-state potential energy surfaces along bond breaking coordinates and for excited states dominated by two-electron transitions, is explored. The proposed approaches combine the method of moments of coupled-cluster equations (MMCC), in which the a posteriori corrections due to higher-order correlations are added to standard CC/EOMCC energies, with the multi-reference many-body perturbation theory (MRMBPT), which provides information about the most essential non-dynamic and dynamic correlation effects that are relevant to electronic quasi-degeneracies. The performance of the basic MRMBPT-corrected MMCC approximation, in which inexpensive non-iterative corrections due to triple excitations are added to ground- and excited-state energies obtained with the CC/EOMCC singles and doubles approach, is illustrated by the results of a few test calculations, including bond breaking in HF and H2O, and excited states of CH+." @default.
- W2054617775 created "2016-06-24" @default.
- W2054617775 creator A5000781700 @default.
- W2054617775 creator A5020767066 @default.
- W2054617775 creator A5036199301 @default.
- W2054617775 creator A5079494932 @default.
- W2054617775 date "2006-10-01" @default.
- W2054617775 modified "2023-09-24" @default.
- W2054617775 title "Non-iterative coupled-cluster methods employing multi-reference perturbation theory wave functions" @default.
- W2054617775 cites W1482410246 @default.
- W2054617775 cites W1484837294 @default.
- W2054617775 cites W1486103950 @default.
- W2054617775 cites W1532595750 @default.
- W2054617775 cites W1584675441 @default.
- W2054617775 cites W1584775267 @default.
- W2054617775 cites W1948575633 @default.
- W2054617775 cites W1964396782 @default.
- W2054617775 cites W1966104197 @default.
- W2054617775 cites W1966303636 @default.
- W2054617775 cites W1966708576 @default.
- W2054617775 cites W1967460177 @default.
- W2054617775 cites W1968217346 @default.
- W2054617775 cites W1968633753 @default.
- W2054617775 cites W1968731485 @default.
- W2054617775 cites W1968852995 @default.
- W2054617775 cites W1970162307 @default.
- W2054617775 cites W1971361039 @default.
- W2054617775 cites W1972119807 @default.
- W2054617775 cites W1972352258 @default.
- W2054617775 cites W1972418687 @default.
- W2054617775 cites W1977277367 @default.
- W2054617775 cites W1978372106 @default.
- W2054617775 cites W1980780902 @default.
- W2054617775 cites W1982274673 @default.
- W2054617775 cites W1982611211 @default.
- W2054617775 cites W1983580579 @default.
- W2054617775 cites W1983659353 @default.
- W2054617775 cites W1983761549 @default.
- W2054617775 cites W1984139317 @default.
- W2054617775 cites W1985089749 @default.
- W2054617775 cites W1985175271 @default.
- W2054617775 cites W1987489232 @default.
- W2054617775 cites W1988380752 @default.
- W2054617775 cites W1993080159 @default.
- W2054617775 cites W1994298443 @default.
- W2054617775 cites W1995860765 @default.
- W2054617775 cites W1996585321 @default.
- W2054617775 cites W1996911164 @default.
- W2054617775 cites W1997103302 @default.
- W2054617775 cites W1997641598 @default.
- W2054617775 cites W1999144013 @default.
- W2054617775 cites W2001324501 @default.
- W2054617775 cites W2001595895 @default.
- W2054617775 cites W2002421561 @default.
- W2054617775 cites W2004551540 @default.
- W2054617775 cites W2005207642 @default.
- W2054617775 cites W2006190302 @default.
- W2054617775 cites W2007652756 @default.
- W2054617775 cites W2008120276 @default.
- W2054617775 cites W2010753588 @default.
- W2054617775 cites W2011131906 @default.
- W2054617775 cites W2011806710 @default.
- W2054617775 cites W2011910654 @default.
- W2054617775 cites W2012458244 @default.
- W2054617775 cites W2012778107 @default.
- W2054617775 cites W2013669215 @default.
- W2054617775 cites W2014231536 @default.
- W2054617775 cites W2014240026 @default.
- W2054617775 cites W2014774264 @default.
- W2054617775 cites W2016227906 @default.
- W2054617775 cites W2017109347 @default.
- W2054617775 cites W2017583835 @default.
- W2054617775 cites W2017894817 @default.
- W2054617775 cites W2017904057 @default.
- W2054617775 cites W2018632465 @default.
- W2054617775 cites W2019923061 @default.
- W2054617775 cites W2020275252 @default.
- W2054617775 cites W2021908552 @default.
- W2054617775 cites W2022591290 @default.
- W2054617775 cites W2024284538 @default.
- W2054617775 cites W2025917120 @default.
- W2054617775 cites W2026945649 @default.
- W2054617775 cites W2027797490 @default.
- W2054617775 cites W2028166966 @default.
- W2054617775 cites W2030671472 @default.
- W2054617775 cites W2031363259 @default.
- W2054617775 cites W2033597169 @default.
- W2054617775 cites W2034081343 @default.
- W2054617775 cites W2034280248 @default.
- W2054617775 cites W2034408819 @default.
- W2054617775 cites W2035988586 @default.
- W2054617775 cites W2036032342 @default.
- W2054617775 cites W2037464166 @default.
- W2054617775 cites W2041192156 @default.
- W2054617775 cites W2042300609 @default.
- W2054617775 cites W2042441568 @default.
- W2054617775 cites W2043136861 @default.
- W2054617775 cites W2043504437 @default.