Direct minimization of the energy functional in the LCAO-MO density matrix formalism
Author:
Affiliation:
1. a Centro C.N.R. Relazioni fra struttura e reattività chimica , Via Golgi, 19, I-20133 , Milano , Italy
2. b Istituto di Chimica Generale dell'Università, Centro C.N.R. , Via Venezian 21, I-20133 , Milano , Italy
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268977800102801
Reference7 articles.
1. Direct minimization of the energy functional in LCAO-MO density matrix formalism I. Closed and open shell systems
2. Natural Orbital Expansion of Interacting Geminals
3. Self‐Consistent Group Calculations on Polyatomic Molecules. I. Basic Theory with an Application to Methane
4. Geminal Product Wavefunctions: A General Formalism
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