Analytic second derivative techniques for self-consistent-field wave functions. A new approach to the solution of the coupled perturbed hartree-fock equations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference15 articles.
1. P. Saxe, Y. Yamaguchi, and H. F. Schaefer, “Analytic Second Derivatives in Restricted Hartree-Fock Theory. A Method for High-Spin Open-Shell Molecular Wave Functions”, J. Chem. Phys., in press.
2. Y. Osamura, Y. Yamaguchi, P. Saxe, M. A. Vincent, J. F. Gaw, and H. F. Schaefer, “Unified Theoretical Treatment of Analytic First and Second Energy Derivatives in Open-Shell Hartree-Fock Theory”, Chemical Physics, in press.
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