Correlation and Localization

Autor:	Josef Paldus, B. Kirtman, Rodney J. Bartlett, I. Røeggen, S. Vogtner, János Pipek, Werner Kutzelnigg, C. Valdemoro, J. Q. Sun, Jozef Noga, Wim Klopper, P. R. Surján, Hendrik Müller, Mario Raimondi, Norman H. March, Ferenc Bogár, David L. Cooper, Péter R. Surján, Paul G. Mezey
Rok vydání:	1999
Předmět:	Delocalized electron Modern valence bond theory Geminal Electronic correlation Atomic orbital Chemistry Quantum mechanics Density functional theory Perturbation theory Molecular physics Electron localization function
Zdroj:	Topics in Current Chemistry ISBN: 9783540657545 Correlation and Localization
DOI:	10.1007/3-540-48972-x
Popis:	Electron Correlation in Small Molecules: Grafting CI onto CC.- Extremal Electron Pairs - Application to Electron Correlation, Especially the R12 Method.- Many-Body Perturbation Theory with Localized Orbitals - Kapuy's Approach.- An Introduction to the Theory of Geminals.- Extended Geminal Models.- Ab Initio Modern Valence Bond Theory.- Modern Correlation Theories for Extended, Periodic Systems.- Local Space Approximation Methods for Correlated Electronic Structure Calculations in Large Delocalized Systems that are Locally Perturbed.- Local Electron Densities and Functional Groups in Quantum Chemistry.- Electron Correlation and Reduced Density Matrices.- Localization via Density Functionals.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::06d9e4abe9ffff11716b8f6a2b9da330 https://doi.org/10.1007/3-540-48972-x Zobrazit plný text záznamu