Structure of MCSCF electronic energy domain
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference69 articles.
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4. A quadratically convergent multiconfiguration–self‐consistent field method with simultaneous optimization of orbitals and CI coefficients
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1. Approximate solution of the representability problem;International Journal of Quantum Chemistry;2001
2. Study of localized molecular orbitals using group theory methods and its approach to the many-electron correlation problem. IV. The symmetry-adaptation of many-center integrals and hamiltonian matrix elements in MCSCF calculations;Journal of Computational Chemistry;1994-08
3. Electron Correlation in Molecules Using Direct Second Order MCSCF;Relativistic and Electron Correlation Effects in Molecules and Solids;1994
4. CASSCF optimization problem for a group of excited states;International Journal of Quantum Chemistry;1992-08-10
5. SIRIUS: A General Purpose Direct Second Order MCSCF Program;Modem Techniques in Computational Chemistry: MOTECC-91;1991
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