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PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
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QCLAB
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
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Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
New Methods and Models for Condensed Phase Simulations
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
Variational calculations of excited states via direct optimization of the orbitals in DFT - Faraday Discussions (RSC Publishing) DOI:10.1039/D0FD00064G
PDF) Fast and accurate Coulomb calculation with Gaussian functions
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
arXiv:2002.05631v1 [physics.chem-ph] 13 Feb 2020
