Analytical energy gradient for the two-component normalized elimination of the small component method
Author:
Affiliation:
1. Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, 3215 Daniel Ave, Dallas, Texas 75275-0314, USA
Funder
National Science Foundation (NSF)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4921915
Reference84 articles.
1. An improved algorithm for the normalized elimination of the small-component method
2. Development and application of the analytical energy gradient for the normalized elimination of the small component method
3. Analytic calculation of second-order electric response properties with the normalized elimination of the small component (NESC) method
4. Interfacing relativistic and nonrelativistic methods. I. Normalized elimination of the small component in the modified Dirac equation
5. The quantum theory of the electron
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