Accelerating molecular property calculations with nonorthonormal Krylov space methods
Author:
Affiliation:
1. Department of Chemistry, University of California, Irvine, 1102 Natural Sciences II, Irvine, California 92697-2025, USA
Funder
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4947245
Reference99 articles.
1. Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations
2. Linear and nonlinear response functions for an exact state and for an MCSCF state
3. Response functions from Fourier component variational perturbation theory applied to a time-averaged quasienergy
4. A perspective on nonresonant and resonant electronic response theory for time-dependent molecular properties
5. Iterative Methods for Sparse Linear Systems
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