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State-Specific Analytical Nuclear Gradients for the Density-Fitted Exact Two-Component State-Averaged Complete Active Space Self-Consistent Field (X2C-SA-CASSCF) Theory

Name: State-Specific Analytical Nuclear Gradients for the Density-Fitted Exact Two-Component State-Averaged Complete Active Space Self-Consistent Field (X2C-SA-CASSCF) Theory
License: Open Access

Saemee Song (152635) et al.

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biophysics biotechnology cell-biology physiology

biophysics, medicine, cell biology, physiology, biotechnology, mathematical sciences not elsewhere classified, chemical sciences not elsewhere classified, physical sciences not elsewhere classified

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State-Specific Analytical Nuclear Gradients for the Density-Fitted Exact Two-Component State-Averaged Complete Active Space Self-Consistent Field (X2C-SA-CASSCF) Theory

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