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Self-consistent field theory

Llistar Títols per Matèria "Self-consistent field theory"

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doc icon DUGiDocs 2008 Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry Lasorne, Benjamin ; Sicilia, Fabrizio ; Bearpark, Michael J. ; Robb, Michael A. ; Worth, Graham A. ; Blancafort San José, Lluís
out url icon Recercat Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry Lasorne, Benjamin ; Sicilia, Fabrizio ; Bearpark, Michael J. ; Robb, Michael A. ; Worth, Graham A. ; Blancafort San José, Lluís
doc icon DUGiDocs 2003 A new efficient approach to the direct restricted active space self-consistent field method Klene, Michael ; Robb, Michael A. ; Blancafort San José, Lluís ; Frisch, Michael J.
out url icon Recercat A new efficient approach to the direct restricted active space self-consistent field method Klene, Michael ; Robb, Michael A. ; Blancafort San José, Lluís ; Frisch, Michael J.
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