PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube
PDF) Improved initial guess for minimum energy path calculations
arXiv:2002.05631v1 [physics.chem-ph] 13 Feb 2020
Q-Chem 4.2 User's Manual
Q-Chem 5.1 User's Manual : Dual-Basis Self-Consistent Field Calculations
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18
Variational calculations of excited states via direct optimization of the orbitals in DFT - Faraday Discussions (RSC Publishing) DOI:10.1039/D0FD00064G
QC Intro: Wavefunction Theory
New Methods and Models for Condensed Phase Simulations
New Methods and Models for Condensed Phase Simulations
Q-Chem 5.1 User's Manual : Converging SCF Calculations
PDF) Fast and accurate Coulomb calculation with Gaussian functions
Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
QChem Manual | Modern Physics | Computational Chemistry
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
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
Diagonalization-free initial guess to SCF calculations for large molecules - ScienceDirect
PDF) Q-Chem 2.0: a high-performanceab initio electronic structure program package | Christopher J White, MD, MACC, MSCAI - Academia.edu
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
QCLAB
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
QChem Manual | Modern Physics | Computational Chemistry
