Conjugate gradient method for the solution of linear equations: Application to molecular electronic structure calculations
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Publication:1168046
DOI10.1016/0021-9991(82)90033-XzbMath0492.65019MaRDI QIDQ1168046
P. E. S. Wormer, F. C. Visser, Josef Paldus
Publication date: 1982
Published in: Journal of Computational Physics (Search for Journal in Brave)
conjugate gradient methodmolecular electronic structure calculationsRayleigh-Ritz variational approach
Numerical optimization and variational techniques (65K10) Newton-type methods (49M15) Iterative numerical methods for linear systems (65F10) Molecular physics (81V55) Variational principles of physics (49S05)
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Cites Work
- Augmentability in optimization theory
- A new look at the Lanczos algorithm for solving symmetric systems of linear equations
- Finite Element Solution of Boundary Value Problems
- Methods of conjugate gradients for solving linear systems
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