Titlebook: Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics; Selected proceedings Yan A. Wang,Mark Thachuk,Jean Maruani

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Detain

Das Konzept der Entwicklungsaufgabent correlation factor . can occur as a power multiplying an orbital functional form (a . function) and/or in an exponent (producing .). Hylleraas functions in which each wave-function term contains at most one linear . factor define a method known as .. This paper reviews the analytical methods avail

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口味

Ein Blick zurück auf die „Jugend von heute“of the multicharged ions in plasmas, in particular, computing the electron-ion collision strengths, cross-sections etc. The approach is combined with relativistic many-body perturbation theory with the Debye shielding model Hamiltonian for electron-nuclear and electron-electron systems. The optimize

憎恶

Total Domination and Graph Products,quation approach and relativistic many-body perturbation theory (electron subsystem). The key feature of the theory is simultaneous accounting for the electromagnetic and strong pion-nuclear interactions by means of using the generalized radiation and strong pion-nuclear optical potentials. The nucl

TAP

TAP

John Skinner,Alister Hart,Ashley Matthieso or more boron atoms are targeted for further study with ab initio methods (HF, B3LYP, and MP2) using modest basis sets (6-31G*, 6-31+G* and 6-311+G*). The ions identified for study are: [B.O.]., [B.O.(OH).]., [B.O.(OH).]., [B.O.(OH).]., [B.O.(OH).]., [B.O.(OH).]., [B.O.]., and [B.O.].. Some struct

CARE

John Skinner,Alister Hart,Ashley Matthies, ab initio results are presented of molecular ortho- and metaboric acid, (tetrahydroxo)borate, and the hydrates of orthoboric acid and borate. The structures and vibrational frequencies are compared with experiment. Attempts to study their interconversion lead us to a discussion of oxodihydroxobora

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粗野

https://doi.org/10.1007/978-3-642-27361-2-Plesset perturbation theory (MP2) in consideration of the effect of electron correlation. For both ionic clusters, we obtained the different stable geometries from the previous study by Drenck and coworkers (Int J Mass Spectrom 273:126–131, 2008) [.] with the density functional theory of Becke 3-pa