ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
We modify the matricial form of the TDHF equations we suggested in an earlier article, and impose a further constraint, called unicity constraint, to the equations' solutions. Indeed, this further constraint, combined with the orthonormalization conditions already taken into account, allows the TDHF equations a form accepting only one spin-orbital set as a solution.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560270206
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