说不出
发表于 2025-3-23 11:16:52
Calculation of Geometrical Derivatives in Molecular Electronic Structure Theory,lar gradients and Hessians for the following . electronic structure techniques: self-consistent field (SCF) and multiconfigurational (MC) SCF wave functions, configuration interaction (CI) and coupled cluster (CC) wave functions, and Møller-Plesset (MP) perturbation theory. Finally, use of translational and rotational symmetries is discussed.
STING
发表于 2025-3-23 15:30:49
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LITHE
发表于 2025-3-23 20:42:28
Quantum Mechanical Scattering Theory for Chemical Reactions,actions. These lectures review reactive scattering theory, in particular recent theoretical developments that have played a key role in the dramatic theoretical advances since -1987. Two other recent reviews that I recommend are refs. 1 and 2.
复习
发表于 2025-3-23 22:26:23
Many-Body Perturbation Theory for Vibrational Electronic Molecular Hamiltonian, with respect to external field perturbation parameters are directly associated with the one-electron properties of the molecule such as moments, field gradients, spin densities etc., (for details see ref.) ..
未开化
发表于 2025-3-24 02:56:44
Introductory Remarks,It is my pleasure, on behalf of the organizing committee., to welcome you to this NATO Advanced Study Institute on ..
cacophony
发表于 2025-3-24 08:14:20
The Electron Correlation Problem,The so-called ‘electron correlation problem’ has been a dominant theme in molecular quantum mechanics for the last forty years; there is little new to say but it is of great importance to define the concept precisely and to investigate how correlation effects can be admitted in wavefunction calculations.
无脊椎
发表于 2025-3-24 11:30:30
The Perturbation Theory of Electron Correlation: II. Many-Body Perturbation Theory and the AlgebraiIn this article we consider the many-body perturbation theory and its formulation within the algebraic approximation, that is using finite sets of analytic basis functions.
恭维
发表于 2025-3-24 17:10:35
NATO Science Series B:http://image.papertrans.cn/m/image/632290.jpg
Sedative
发表于 2025-3-24 21:59:18
978-1-4615-7421-7Springer Science+Business Media New York 1992
insurgent
发表于 2025-3-25 00:11:24
Methods in Computational Molecular Physics978-1-4615-7419-4Series ISSN 0258-1221