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Nonorthogonal density-matrix perturbation theory.
Niklasson AM, Weber V, Challacombe M. Niklasson AM, et al. Among authors: weber v. J Chem Phys. 2005 Jul 22;123(4):044107. doi: 10.1063/1.1944725. J Chem Phys. 2005. PMID: 16095346
Lett. 92, 193001 (2004)] provides an efficient framework for the linear scaling computation of materials response properties [V. Weber, A.M.N. Niklasson, and M. Challacombe, Phys. Rev. Lett. 92, 193002 (2004)]. ...
Lett. 92, 193001 (2004)] provides an efficient framework for the linear scaling computation of materials response properties [V. W …
Extended Lagrangian Born-Oppenheimer molecular dynamics with dissipation.
Niklasson AM, Steneteg P, Odell A, Bock N, Challacombe M, Tymczak CJ, Holmström E, Zheng G, Weber V. Niklasson AM, et al. Among authors: weber v. J Chem Phys. 2009 Jun 7;130(21):214109. doi: 10.1063/1.3148075. J Chem Phys. 2009. PMID: 19508058 Free article.
Higher-order response in O(N) by perturbed projection.
Weber V, Niklasson AM, Challacombe M. Weber V, et al. J Chem Phys. 2005 Jul 22;123(4):044106. doi: 10.1063/1.1944724. J Chem Phys. 2005. PMID: 16095345
Perturbed projection for linear scaling solution of the coupled-perturbed self-consistent-field equations [V. Weber, A.M.N. Niklasson, and M. Challacombe, Phys. Rev. Lett. 92, 193002 (2004)] is extended to the computation of higher-order static response properties. …
Perturbed projection for linear scaling solution of the coupled-perturbed self-consistent-field equations [V. Weber, A.M.N. Ni …
253 results