Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube
Release Log for Q-Chem 5.3 | Q-Chem
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
New Methods and Models for Condensed Phase Simulations
PDF) Improved initial guess for minimum energy path calculations
PDF) Density matrices approximation for electronic structure calculations
Q-Chem 5.1 User's Manual : Dual-Basis Self-Consistent Field Calculations
Diagonalization-free initial guess to SCF calculations for large molecules - ScienceDirect
PDF) Fast and accurate Coulomb calculation with Gaussian functions
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18
Q-Chem 4.2 User's Manual
PDF) Q-Chem 2.0: a high-performanceab initio electronic structure program package | Christopher J White, MD, MACC, MSCAI - Academia.edu
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
Frontiers | Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code | Chemistry
QC Intro: Wavefunction Theory
QChem Manual | Modern Physics | Computational Chemistry
Q-Chem 5.1 User's Manual : Converging SCF Calculations
CP2K: How to use the constrained DFT module
PDF) Starting SCF calculations by superposition of atomic densities | Martyn Guest - Academia.edu
New Methods and Models for Condensed Phase Simulations
PDF) Spin-Orbit Coupling from a Two-Component Self-Consistent Approach. I. Generalised Hartree-Fock Theory
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
New Methods and Models for Condensed Phase Simulations
Parallelization of SCF calculations within Q-Chem | Request PDF
Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
