Zero-Differential Overlap
Versandkostenfrei!
Versandfertig in 6-10 Tagen
26,99 €
inkl. MwSt.
PAYBACK Punkte
13 °P sammeln!
High Quality Content by WIKIPEDIA articles! 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. Methods such as the Pariser Parr Pople method (PPP) and CNDO/2 use the zero-differential overlap approximation completely. Methods based on the intermediate neglect of differential overlap, such as INDO, MINDO, ZINDO and SINDO do not apply it when A = B = C = D, i.e. when all four basis functions are on the same atom. Methods that use ...
High Quality Content by WIKIPEDIA articles! 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. Methods such as the Pariser Parr Pople method (PPP) and CNDO/2 use the zero-differential overlap approximation completely. Methods based on the intermediate neglect of differential overlap, such as INDO, MINDO, ZINDO and SINDO do not apply it when A = B = C = D, i.e. when all four basis functions are on the same atom. Methods that use the neglect of diatomic differential overlap, such as MNDO, PM3 and AM1, also do not apply it when A = B and C = D, i.e. when the basis functions for the first electron are on the same atom and the basis functions for the second electron are the same atom.
Andere Kunden interessierten sich für
