PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
PDF) Starting SCF calculations by superposition of atomic densities | Martyn Guest - Academia.edu
Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube
QChem Manual | Modern Physics | Computational Chemistry
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PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
PDF) Improved initial guess for minimum energy path calculations
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
PDF) Spin-Orbit Coupling from a Two-Component Self-Consistent Approach. I. Generalised Hartree-Fock Theory
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
Parallelization of SCF calculations within Q-Chem | Request PDF
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
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
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.
New Methods and Models for Condensed Phase Simulations
Webinar 42: GPU Computing with Q-Chem and BrianQC | Q-Chem
New Methods and Models for Condensed Phase Simulations
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
1. The SCF iteration. | Download Scientific Diagram
Release Log for Q-Chem 5.3 | Q-Chem
arXiv:2002.05631v1 [physics.chem-ph] 13 Feb 2020
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
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
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PDF) Density matrices approximation for electronic structure calculations
Variational calculations of excited states via direct optimization of the orbitals in DFT - Faraday Discussions (RSC Publishing) DOI:10.1039/D0FD00064G
