Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4904298
Reference76 articles.
1. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
2. LiH Potential Curves and Wavefunctions for X 1Σ+, A 1Σ+, B 1Π, 3Σ+, and 3Π
3. A quadratically convergent MCSCF method for the simultaneous optimization of several states
4. Quantum chemistry of the excited state: 2005 overview
5. Computational Photobiology and Beyond
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