New Methods and Models for Condensed Phase Simulations
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
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
Variational calculations of excited states via direct optimization of the orbitals in DFT - Faraday Discussions (RSC Publishing) DOI:10.1039/D0FD00064G
Q-Chem 5.1 User's Manual : Dual-Basis Self-Consistent Field Calculations
QC Intro: Wavefunction Theory
New Methods and Models for Condensed Phase Simulations
PDF) Fast and accurate Coulomb calculation with Gaussian functions
Release Log for Q-Chem 5.3 | Q-Chem
QChem Manual | Modern Physics | Computational Chemistry
Q-Chem 5.1 User's Manual : Converging SCF Calculations
Parallelization of SCF calculations within Q-Chem | Request PDF
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18
New Methods and Models for Condensed Phase Simulations
Q-Chem 4.2 User's Manual
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
1. The SCF iteration. | Download Scientific Diagram
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
Diagonalization-free initial guess to SCF calculations for large molecules - ScienceDirect
Frontiers | Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code | Chemistry
An analysis of SCF and geometry convergence for diatomic molecules – topic of research paper in Chemical sciences. Download scholarly article PDF and read for free on CyberLeninka open science hub.
Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube
