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Calculating Derivative Couplings between Time-Dependent Hartree–Fock Excited States with Pseudo-Wavefunctions

✍ Scribed by Alguire, Ethan C.; Ou, Qi; Subotnik, Joseph E.


Book ID
126688691
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
397 KB
Volume
119
Category
Article
ISSN
0022-3654

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📜 SIMILAR VOLUMES


Transitions between excited states of tw
✍ M.J. Jamieson; R.S. Watts 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 281 KB

An expression ior the transition matrix element between excited states is given in terms of the solutions to the time-dependent Ha-tree-Fock eigenvalue ditierendal equations. Some dipc4e oscillator saengths and transirioo moments are evaluated for members of the helium isoelectronic sequence.