A simple density functional fractional occupation number procedure to determine the low energy transition region of spin-flip reactions
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2566404
Reference64 articles.
1. GEOMETRY OPTIMIZATION ON POTENTIAL ENERGY SURFACES
2. GEOMETRY OPTIMIZATION ON POTENTIAL ENERGY SURFACES
3. Diabolical conical intersections
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