Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
PDF) Starting SCF calculations by superposition of atomic densities | Martyn Guest - Academia.edu
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
Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
PDF) Q-Chem 2.0: a high-performanceab initio electronic structure program package | Christopher J White, MD, MACC, MSCAI - Academia.edu
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
New Methods and Models for Condensed Phase Simulations
New Methods and Models for Condensed Phase Simulations
arXiv:2002.05631v1 [physics.chem-ph] 13 Feb 2020
Q-Chem 5.1 User's Manual : Dual-Basis Self-Consistent Field Calculations
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
QChem Manual | Modern Physics | Computational Chemistry
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) Density matrices approximation for electronic structure calculations
New Methods and Models for Condensed Phase Simulations
QCLAB
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
Frontiers | Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code | Chemistry
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
CP2K: How to use the constrained DFT module
Parallelization of SCF calculations within Q-Chem | Request PDF
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
QC Intro: Wavefunction Theory
