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Q-Chem 5.1 User's Manual : Theoretical Background
Q-Chem 5.1 User's Manual : Theoretical Background

Q–Chem User's Manual
Q–Chem User's Manual

Q-Chem 5.1 User's Manual : Theoretical Background
Q-Chem 5.1 User's Manual : Theoretical Background

Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation: The Journal of Chemical Physics: Vol 145, No
Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation: The Journal of Chemical Physics: Vol 145, No

QCLAB
QCLAB

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

Q-Chem 2.0: A High-Performance Ab Initio Electronic Structure Program Package
Q-Chem 2.0: A High-Performance Ab Initio Electronic Structure Program Package

Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube
Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube

Keywords by Alpha — PSI4 [beta3] documentation
Keywords by Alpha — PSI4 [beta3] documentation

Q-Chem 5.1 User's Manual : Converging SCF Calculations
Q-Chem 5.1 User's Manual : Converging SCF Calculations

Q-Chem 4.3 User's Manual : Dual-Basis Self-Consistent Field Calculations
Q-Chem 4.3 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
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18

PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States

Release Log for Q-Chem 5.3 | Q-Chem
Release Log for Q-Chem 5.3 | Q-Chem

How can we calculate the emission spectrum of a molecule using Gaussian?
How can we calculate the emission spectrum of a molecule using Gaussian?

QChem Manual | Modern Physics | Computational Chemistry
QChem Manual | Modern Physics | Computational Chemistry

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

Step Nine: Collaboration with Other Quantum Chemistry Softwares
Step Nine: Collaboration with Other Quantum Chemistry Softwares

Q-Chem 5.1 User's Manual : Alphabetical Listing of $rem Variables
Q-Chem 5.1 User's Manual : Alphabetical Listing of $rem Variables

Q-Chem 5.1 User's Manual : Converging SCF Calculations
Q-Chem 5.1 User's Manual : Converging SCF Calculations

Q-Chem User's Manual Version 4.1 July, 2013
Q-Chem User's Manual Version 4.1 July, 2013

Qchem Manual 4.1 | Hartree–Fock Method | Solid State Chemistry
Qchem Manual 4.1 | Hartree–Fock Method | Solid State Chemistry

New Methods and Models for Condensed Phase Simulations
New Methods and Models for Condensed Phase Simulations

Excited-State Methods | Q-Chem
Excited-State Methods | Q-Chem

PDF) Q-Chem 3.0: A high-performance quantum chemistry program package for molecular electronic structure calculations CONTRIBUTING AUTHOR LIST | Emil Proynov - Academia.edu
PDF) Q-Chem 3.0: A high-performance quantum chemistry program package for molecular electronic structure calculations CONTRIBUTING AUTHOR LIST | Emil Proynov - Academia.edu

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
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