A New dimension to quantum chemistry : analytic derivative methods in ab initio molecular electronic structure theory
Author(s)
Bibliographic Information
A New dimension to quantum chemistry : analytic derivative methods in ab initio molecular electronic structure theory
（International series of monographs on chemistry, 29）
Oxford University Press, 1994
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Note
"Bibliographical survey on analytic energy derivatives" : p. 448-462. Index: 463-471
Description and Table of Contents
Description
This monograph presents the formulation and implementation of analytical energy derivative methods in ab initio quantum chemistry. It includes a systematic presentation of the necessary algebraic formulae for all of the derivatives.
by "Nielsen BookData"