?Neglect of Diatomic Differential Overlap? in nonempirical quantum chemical orbital theories. IV. An examination of the justification of the neglect of diatomic differential overlap (NDDO) approximation
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference15 articles.
1. Deduction of the Zero Differential Overlap Approximation from an Orthogonal Atomic Orbital Basis
2. A re-examination of the justification of neglect of differential overlap approximations in terms of a power series expansion inS
3. On the justifiability of neglect of differential overlap molecular orbital methods
4. Fundamentals of an orthonormal basis set molecular orbital theory
5. Justifiability of the ZDO approximation in terms of a power series expansion
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1. Big data analysis ofab Initiomolecular integrals in the neglect of diatomic differential overlap approximation;Journal of Computational Chemistry;2018-12-14
2. Semiempirical molecular orbital models based on the neglect of diatomic differential overlap approximation;International Journal of Quantum Chemistry;2018-10-24
3. Comprehensive Analysis of the Neglect of Diatomic Differential Overlap Approximation;Journal of Chemical Theory and Computation;2018-09-06
4. Localized basis orbitals: Minimization of 2-electron integrals array and orthonormality of basis set;Journal of Computational Chemistry;2003-05-15
5. Orthogonalization corrections for semiempirical methods;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);2000-04-14
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