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Can I read Non-adiabatic Couplings by Time-dependent Density Functional Theory on EtoBox?
Non-adiabatic Couplings by Time-dependent Density Functional Theory by Roi Baer is a Physics and Astronomy article available to read on EtoBox.
What is Non-adiabatic Couplings by Time-dependent Density Functional Theory about?
A method is developed to compute non-adiabatic couplings (NACs) between the electronically ground and excited states of a molecule. Applying the method to the H þ H 2 system, using the adiabatic local density approximation (ALDA), yields very good results as long as the CI is not approached too closely.
Who reads Non-adiabatic Couplings by Time-dependent Density Functional Theory?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Roi Baer
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 2002
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)