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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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

PDF) Fast and accurate Coulomb calculation with Gaussian functions
PDF) Fast and accurate Coulomb calculation with Gaussian functions