A constrained optimization algorithm for total energy minimization in electronic structure calculations (Q2508902): Difference between revisions

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-Lin-Wang Wang
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+https://doi.org/10.1016/j.jcp.2006.01.030
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+The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
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+The Geometry of Algorithms with Orthogonality Constraints
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+The QR Transformation A Unitary Analogue to the LR Transformation--Part 1
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+Toward the Optimal Preconditioned Eigensolver: Locally Optimal Block Preconditioned Conjugate Gradient Method
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+On the limited memory BFGS method for large scale optimization
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+Unconstrained energy functionals for electronic structure calculations
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+A Jacobi–Davidson Iteration Method for Linear Eigenvalue Problems
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