Implementation of time-dependent density functional response equations (Q1612026): Difference between revisions

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+Q4544242
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+Implementation of time-dependent density functional response equations
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+Numerical integration for polyatomic systems
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+Forces in Molecules
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+Solution of the large matrix equations which occur in response theory
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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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+A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix
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+Q3222352
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