[PDF.95me] A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory (International Series of Monographs on Chemistry)
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A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory (International Series of Monographs on Chemistry)
Yukio Yamaguchi, John D. Goddard, Yoshihiro Osamura, Henry Schaefer
[PDF.sp41] A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory (International Series of Monographs on Chemistry)
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| #6141647 in Books | 1994-03-10 | Original language:English | PDF # 1 | 9.50 x1.32 x6.81l, | File type: PDF | 496 pages|
In modern theoretical chemistry, the importance of the analytic evaluation of energy derivatives from reliable wave functions can hardly be overestimated. 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 derivations. The coverage is limited to derivative methods for wave functions based on the...
You easily download any file type for your gadget.A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory (International Series of Monographs on Chemistry) | Yukio Yamaguchi, John D. Goddard, Yoshihiro Osamura, Henry Schaefer.Not only was the story interesting, engaging and relatable, it also teaches lessons.
