Some aspects of new orthonormality-constrained orbital optimisation technique
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference13 articles.
1. New Developments in Molecular Orbital Theory
2. Self-Consistent Field Theory for Open Shells of Electronic Systems
3. The density matrix in self-consistent field theory I. Iterative construction of the density matrix
4. The density matrix in self-consistent field theory - III. Generalizations of the theory
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3. Basicity of some proto-typical carbonyls in the ground and some low lying excited states: Application of the orthogonal gradient method of orbital optimization in an INDO-MC-SCF framework-I;Proceedings / Indian Academy of Sciences;1993-06
4. Handling of intrinsic divergence in the orthogonal gradient method of orbital optimization in an MC-SCF framework and geometry optimization in pathological cases: I (propynal in excited states);Pramana;1993-01
5. The behavior of quantum chemical bond order in the vicinity of a saddle point on the reaction path;Journal of the American Chemical Society;1990-04
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