PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
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Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
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Fast algorithms for ab initio molecular dynamics John
Q-Chem 5.0 User's Manual : Theoretical Background
PDF) Advances in methods and algorithms in a modern quantum chemistry program package
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Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
Q-Chem 5.1 User's Manual : Converging SCF Calculations
Qchem Manual 4.1
Q-Chem 5.0 User's Manual : Converging SCF Calculations
Gamess Input Description
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18
Q-Chem 5.0 User's Manual : Theoretical Background
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient
The oxygen dissociation curve calculated by wB97M-V is not smooth - Questions - Q-Chem Talk
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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.
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PDF) Q-Chem 3.0: A high-performance quantum chemistry program package for molecular electronic structure calculations CONTRIBUTING AUTHOR LIST | Emil Proynov - Academia.edu
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