Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer

M Head-Gordon, T Head-Gordon - Chemical Physics Letters, 1994 - Elsevier
An obstacle to obtaining vibrational frequencies of large molecules via second-order Møller—
Plesset (MP2) theory has been the need to store transformed electron repulsion integral …
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[引用][C] Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer

M Head-Gordon, T Head-Gordon - Chemical Physics Letters, 1994 - cir.nii.ac.jp
Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated
hydrogen bonds in the water hexamer | CiNii Research CiNii 国立情報学研究所 学術情報 …

[引用][C] Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer

M HEAD-GORDON… - Chemical physics …, 1994 - pascal-francis.inist.fr
Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated
hydrogen bonds in the water hexamer CNRS Inist Pascal-Francis CNRS Pascal and …

Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer

M Head-Gordon, T Head-Gordon - Chemical Physics Letters, 1994 - ui.adsabs.harvard.edu
An obstacle to obtaining vibrational frequencies of large molecules via second-order Møller—
Plesset (MP2) theory has been the need to store transformed electron repulsion integral …

[引用][C] Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer

M HEAD-GORDON, T HEAD-GORDON - Chemical physics letters, 1994 - Elsevier