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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 40, 1980 - Issue 3
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Research notes

Direct optimization of orbitals for multiconfiguration self-consistent field theory by unitary transformations

II. Further developments and applications to separated electron pair and to SCF theory

Stefano Polezzo Centro C.N.R. “Relazioni fra struttura e reattività chimica”, Via Golgi, 19, I-20133, Milano, Italy
&
Piercarlo Fantucci Istituto di Chimica Generale dell'Università, Centro C.N.R., Via Venezian, 21, I-20133, Milano, Italy
Pages 759-764 | Received 02 Jan 1980, Published online: 22 Aug 2006

Citations (7)

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Read on this site (2)

S. Polezzo & P. Fantucci. (1982) A simplified direct minimization of SCF energy for many-shell systems. Molecular Physics 47:4, pages 987-999.
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Carlo Gatti, Stefano Polezzo, Mario Raimondi & Massimo Simonetta. (1980) Generalized self-consistent valence bond method for ground and excited potential energy surfaces. Molecular Physics 41:6, pages 1259-1279.
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Articles from other publishers (5)

A. M. Tokmachev & R. Dronskowski. (2006) Electron group functions for the analysis of the electronic structures of molecules. Journal of Computational Chemistry 27:3, pages 296-308.
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Péter R. Surján. 1999. Correlation and Localization. Correlation and Localization 63 88 .
Ramon Carbó, Joan Miró, Llorenç Domingo & Juan J. Novoa. 1989. Advances in Quantum Chemistry Volume 20. Advances in Quantum Chemistry Volume 20 375 441 .
Piercarlo Fantucci, Stefano Polezzo, Gabriele Morosi & Venanzio Valenti. (1985) Valence-only model potential calculations on copper hydride molecule. Theoretica Chimica Acta 67:3, pages 245-253.
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Piercarlo Fantucci, Stefano Polezzo & Laura Trombetta. (2004) Direct energy minimization of self‐consistent electron pair by an orthogonal transformation of the basis. International Journal of Quantum Chemistry 19:4, pages 493-500.
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