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Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework Brumboiu, Iulia Emilia; Rehn, Dirk R.; Dreuw, Andreas; Rhee, Young Min; Norman, Patrick, JOURNAL OF CHEMICAL PHYSICS, v.155, no.4, 2021-07 |
The Kramers restricted complete active space self-consistent-field method for two-component molecular spinors and relativistic effective core potentials including spin-orbit interactions Kim, YS; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.119, no.23, pp.12169 - 12178, 2003-12 |
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