PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
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Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube
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PDF) Fast and accurate Coulomb calculation with Gaussian functions
PDF) Improved initial guess for minimum energy path calculations
PDF) Q-Chem 2.0: a high-performanceab initio electronic structure program package | Christopher J White, MD, MACC, MSCAI - Academia.edu
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PDF) Starting SCF calculations by superposition of atomic densities | Martyn Guest - Academia.edu
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
QCLAB
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1. The SCF iteration. | Download Scientific Diagram
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
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arXiv:2002.05631v1 [physics.chem-ph] 13 Feb 2020
