Quadratically Convergent Iteration Procedure for Self‐Consistent Calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1670399
Reference9 articles.
1. The Use of Nonlinear Estimation Techniques in Simple Molecular Orbital Calculations1a
2. The Use of Nonlinear Estimation Techniques in Simple Molecular Orbital Calculations1a
3. SOLUTION OF NONLINEAR SYSTEMS
4. SOLUTION OF NONLINEAR SYSTEMS
5. Iterative Quadratically Convergent Algorithm for Solving the General Hartree—Fock—Roothaan Equations
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2. Approximate second order method for orbital optimization of SCF and MCSCF wavefunctions;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);1997-10-13
3. Constrained Newton approach adequate to direct self‐consistent field calculations in closed‐ and open‐shell configurations;The Journal of Chemical Physics;1991-11
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