New Methods and Models for Condensed Phase Simulations
QC Intro: Wavefunction Theory
New Methods and Models for Condensed Phase Simulations
Q-Chem 5.1 User's Manual : Converging SCF Calculations
CP2K: How to use the constrained DFT module
PDF) Q-Chem 2.0: a high-performanceab initio electronic structure program package | Christopher J White, MD, MACC, MSCAI - Academia.edu
arXiv:2002.05631v1 [physics.chem-ph] 13 Feb 2020
Variational calculations of excited states via direct optimization of the orbitals in DFT - Faraday Discussions (RSC Publishing) DOI:10.1039/D0FD00064G
Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
New Methods and Models for Condensed Phase Simulations
Parallelization of SCF calculations within Q-Chem | Request PDF
QChem Manual | Modern Physics | Computational Chemistry
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
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
Release Log for Q-Chem 5.3 | Q-Chem
PDF) Improved initial guess for minimum energy path calculations
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
New Methods and Models for Condensed Phase Simulations
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
Frontiers | Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code | Chemistry
Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
