Sur la theorie quantique des equations de hartree‐fock dependant du temps. III. Déatermination d'un ensemble unique de spin orbitales | Zendy

Smet F. | Zendy; Groenendael A. Van | Zendy

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Sur la theorie quantique des equations de hartree‐fock dependant du temps. III. Déatermination d'un ensemble unique de spin orbitales

Author(s) -

Smet F.,

Groenendael A. Van

Publication year - 1985

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560270206

Subject(s) - constraint (computer aided design) , physics , spin (aerodynamics) , mathematical physics , hartree–fock method , quantum mechanics , mathematics , thermodynamics , geometry

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.

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