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- W1997024954 endingPage "390" @default.
- W1997024954 startingPage "369" @default.
- W1997024954 abstract "Perhaps even more important to quantum chemistry than enhancements in computer technology has been the theoretical development of analytical derivative methods. It may be realistically stated that such analytic derivative methods provide a new dimension to molecular electronic structure theory. The combination of the two effects (computational advances and theoretical progress) has led to explosive growth in the field. This account primarily describes theoretical developments at Berkeley over the past five years. Analytic first, second and third derivative methods have been developed for single-configuration self-consistent-field (SCF) wavefunctions. Analytic first and second derivative techniques now exist for multiconfiguration (MC) SCF and configuration interaction (CI) wavefunctions. These methods have been used to address a variety of chemical problems, some of which are described here." @default.
- W1997024954 created "2016-06-24" @default.
- W1997024954 creator A5052943714 @default.
- W1997024954 creator A5090704504 @default.
- W1997024954 date "1986-02-01" @default.
- W1997024954 modified "2023-10-12" @default.
- W1997024954 title "A New dimension to quantum chemistry: Theoretical methods for the analytic evaluation of first, second, and third derivatives of the molecular electronic energy with respect to nuclear coordinates" @default.
- W1997024954 cites W1483386803 @default.
- W1997024954 cites W1574952540 @default.
- W1997024954 cites W1587889560 @default.
- W1997024954 cites W1964337872 @default.
- W1997024954 cites W1967075997 @default.
- W1997024954 cites W1970216939 @default.
- W1997024954 cites W1971755929 @default.
- W1997024954 cites W1975095425 @default.
- W1997024954 cites W1975291195 @default.
- W1997024954 cites W1977016713 @default.
- W1997024954 cites W1979140843 @default.
- W1997024954 cites W1980067132 @default.
- W1997024954 cites W1983839048 @default.
- W1997024954 cites W1984908400 @default.
- W1997024954 cites W1986267673 @default.
- W1997024954 cites W1986753652 @default.
- W1997024954 cites W1987268060 @default.
- W1997024954 cites W1992684511 @default.
- W1997024954 cites W1994084283 @default.
- W1997024954 cites W1995250596 @default.
- W1997024954 cites W1998705691 @default.
- W1997024954 cites W2002933833 @default.
- W1997024954 cites W2004429194 @default.
- W1997024954 cites W2005188773 @default.
- W1997024954 cites W2005978525 @default.
- W1997024954 cites W2008994939 @default.
- W1997024954 cites W2010697474 @default.
- W1997024954 cites W2010719051 @default.
- W1997024954 cites W2010785223 @default.
- W1997024954 cites W2014317386 @default.
- W1997024954 cites W2015461021 @default.
- W1997024954 cites W2016410220 @default.
- W1997024954 cites W2017634065 @default.
- W1997024954 cites W2018179526 @default.
- W1997024954 cites W2020185606 @default.
- W1997024954 cites W2022241082 @default.
- W1997024954 cites W2022495401 @default.
- W1997024954 cites W2023606366 @default.
- W1997024954 cites W2024033403 @default.
- W1997024954 cites W2024843945 @default.
- W1997024954 cites W2027098454 @default.
- W1997024954 cites W2027293433 @default.
- W1997024954 cites W2028259383 @default.
- W1997024954 cites W2028563341 @default.
- W1997024954 cites W2030437539 @default.
- W1997024954 cites W2032079421 @default.
- W1997024954 cites W2033851330 @default.
- W1997024954 cites W2036412197 @default.
- W1997024954 cites W2037802346 @default.
- W1997024954 cites W2037971725 @default.
- W1997024954 cites W2040654649 @default.
- W1997024954 cites W2041248934 @default.
- W1997024954 cites W2044421911 @default.
- W1997024954 cites W2044682544 @default.
- W1997024954 cites W2044952708 @default.
- W1997024954 cites W2045021855 @default.
- W1997024954 cites W2045203576 @default.
- W1997024954 cites W2045534854 @default.
- W1997024954 cites W2047466979 @default.
- W1997024954 cites W2048301286 @default.
- W1997024954 cites W2050002995 @default.
- W1997024954 cites W2050742198 @default.
- W1997024954 cites W2052457351 @default.
- W1997024954 cites W2052887867 @default.
- W1997024954 cites W2053337631 @default.
- W1997024954 cites W2053415961 @default.
- W1997024954 cites W2053494793 @default.
- W1997024954 cites W2053624389 @default.
- W1997024954 cites W2054756798 @default.
- W1997024954 cites W2058671123 @default.
- W1997024954 cites W2059605663 @default.
- W1997024954 cites W2060871559 @default.
- W1997024954 cites W2062608939 @default.
- W1997024954 cites W2063634915 @default.
- W1997024954 cites W2064810899 @default.
- W1997024954 cites W2067587975 @default.
- W1997024954 cites W2068033950 @default.
- W1997024954 cites W2069517599 @default.
- W1997024954 cites W2070045737 @default.
- W1997024954 cites W2070220190 @default.
- W1997024954 cites W2070651878 @default.
- W1997024954 cites W2074636920 @default.
- W1997024954 cites W2076618308 @default.
- W1997024954 cites W2078192854 @default.
- W1997024954 cites W2080191983 @default.
- W1997024954 cites W2082603577 @default.
- W1997024954 cites W2083734450 @default.
- W1997024954 cites W2087496726 @default.
- W1997024954 cites W2087743583 @default.
- W1997024954 cites W2088615896 @default.
- W1997024954 cites W2090408135 @default.