zero differential overlap

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• Zero-differential overlap — is an approximation that is used to ignore certain integrals, usually two electron repulsion integrals, in Semi empirical quantum chemistry methods quantum chemistry molecular orbital methods.If the molecular orbitals mathbf{Phi} i are expanded… …   Wikipedia

• ZDO — zero differential overlap …   Medical dictionary

• ZDO — • zero differential overlap …   Dictionary of medical acronyms & abbreviations

• INDO — stands for Intermediate Neglect of Differential Overlap. It is a semi empirical quantum chemistry method that is a development of the complete neglect of diiferential overlap (CNDO/2) method introduced by John Pople. Like CNDO/2 it uses zero… …   Wikipedia

• CNDO/2 — CNDO is the abbreviation for Complete Neglect of Differential Overlap. Although CNDO is based on quantum chemistry, it is more specifically one of the first semi empirical quantum chemistry methods. It uses two approximations: *core approximation …   Wikipedia

• NDDO — stands for neglect of diatomic differential overlap. The formalism was first introduced by John Pople and it is now the basis of most successful semiempirical methods. While INDO added all one centre two electron integrals to the CNDO/2 formalism …   Wikipedia

• AM1 — ou Austin Model 1 est une méthode de calcul de chimie quantique développée par M. Dewar en 1985. Le modèle AM1 est basé sur une approche Hartree Fock semi empirique. À la différence d une approche ab initio, où toutes les intégrales bi… …   Wikipédia en Français

• Am1 — ou Austin Model 1 est une méthode de calcul de chimie quantique développée par M. Dewar en 1985. Le modèle AM1 est basé sur une approche Hartree Fock semi empirique. À la différence d une approche ab initio, où toutes les intégrales bi… …   Wikipédia en Français

• Pariser–Parr–Pople method — In molecular physics, the Pariser–Parr–Pople method applies semi empirical quantum mechanical methods to the quantitative prediction of electronic structures and spectra, in molecules of interest in the field of organic chemistry. Previous… …   Wikipedia

• Per-Olov Löwdin — Infobox Scientist name = Per Olov Löwdin |300px image width = 200px caption = Photograph of Per Olov Löwdin. birth date = birth date|1916|10|28|mf=y birth place = Uppsala, Sweden death date = death date and age|2000|10|6|1916|10|28|mf=y death… …   Wikipedia

• QUANTIQUE (CHIMIE) — L’émergence de la chimie quantique, en temps que domaine de la connaissance scientifique, peut être assez précisément datée: en 1927, W. H. Heitler et F. London proposaient une solution satisfaisante au problème de la stabilisation de la molécule …   Encyclopédie Universelle