PDF) Starting SCF calculations by superposition of atomic densities | Martyn Guest - Academia.edu
PDF) Q-Chem 3.0: A high-performance quantum chemistry program package for molecular electronic structure calculations CONTRIBUTING AUTHOR LIST | Emil Proynov - Academia.edu
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
New Methods and Models for Condensed Phase Simulations
arXiv:2002.05631v1 [physics.chem-ph] 13 Feb 2020
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
Q-Chem 4.2 User's Manual
New Methods and Models for Condensed Phase Simulations
PDF) Fast and accurate Coulomb calculation with Gaussian functions
PDF) Spin-Orbit Coupling from a Two-Component Self-Consistent Approach. I. Generalised Hartree-Fock Theory
Excited state orbital optimization via minimizing the square of the gradient: General approach and application to singly and doubly excited states via density functional theory – arXiv Vanity
New Methods and Models for Condensed Phase Simulations
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18
CP2K: How to use the constrained DFT module
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
PDF) Density matrices approximation for electronic structure calculations
New Methods and Models for Condensed Phase Simulations
