Analytical gradient of the linear combination of Gaussian‐type orbitals—local spin density energy
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.456354
Reference65 articles.
1. Optimization of Equilibrium Geometries and Transition Structures
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4. Analytic energy derivative methods for excited singlet states of the same symmetry as the electronic ground state
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