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

Parallelization of SCF calculations within Q-Chem | Request PDF
Parallelization of SCF calculations within Q-Chem | Request PDF

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

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

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

PDF) An assessment of initial guesses for self-consistent field  calculations. Superposition of Atomic Potentials: simple yet efficient
PDF) An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient

QCLAB
QCLAB

PDF) Efficient self-consistent DFT calculation of nondynamic correlation  based on the B05 method
PDF) Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method

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

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

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

QuantumChemistry500
QuantumChemistry500

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

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

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

PDF) An assessment of initial guesses for self-consistent field  calculations. Superposition of Atomic Potentials: simple yet efficient
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
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC

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

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

Understanding the many-body expansion for large systems. I. Precision  considerations: The Journal of Chemical Physics: Vol 141, No 1
Understanding the many-body expansion for large systems. I. Precision considerations: The Journal of Chemical Physics: Vol 141, No 1

Q-Chem 5.1 User's Manual : Dual-Basis Self-Consistent Field Calculations
Q-Chem 5.1 User's Manual : Dual-Basis Self-Consistent Field Calculations

Q-Chem 5: Facilitating Worldwide Scientific Breakthroughs
Q-Chem 5: Facilitating Worldwide Scientific Breakthroughs

PDF) Advances in methods and algorithms in a modern quantum chemistry  program package
PDF) Advances in methods and algorithms in a modern quantum chemistry program package

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

Starting SCF calculations by superposition of atomic densities - Van Lenthe  - 2006 - Journal of Computational Chemistry - Wiley Online Library
Starting SCF calculations by superposition of atomic densities - Van Lenthe - 2006 - Journal of Computational Chemistry - Wiley Online Library

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

Understanding the many-body expansion for large systems. I. Precision  considerations: The Journal of Chemical Physics: Vol 141, No 1
Understanding the many-body expansion for large systems. I. Precision considerations: The Journal of Chemical Physics: Vol 141, No 1