Orbital optimization techniques: Comparative study in a semiempirical framework
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference23 articles.
1. Selection of configurations for SCF-CI calculations of spectral properties and comparison with TDHF calculations
2. Complete determination of the structure of pyridine by microwave spectra
3. The crystal and molecular structure of pyrimidine
4. The crystal and molecular structure of pyrazine
5. The structure of heterocyclic compounds containing nitrogen. I. Crystal and molecular structure ofs-tetrazine
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1. 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
2. Modelling of reaction paths from bond-order profiles: a local versus global description of A-B-C → B-C-A photoisomerization;Journal of Molecular Structure: THEOCHEM;1992-12
3. 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
4. Forcing of convergence in pathological self-consistent-field calculations: a Padé-(MC)SCF strategy;Chemical Physics Letters;1989-10
5. Structural features of some small carbonyls in the1,3n? states: An mcscf study;International Journal of Quantum Chemistry;1986-06
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