Using Q-Chem for molecular simulations at NERSC
Q-Chem 4.3 User's Manual : Dual-Basis Self-Consistent Field Calculations
SCF correlating molecular and wavefunction symmetry · Issue #875 · psi4/psi4 · GitHub
Using Q-Chem for molecular simulations at NERSC
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient | Journal of Chemical Theory and Computation
A Neural Network Based Approach to SCF Initial Guesses
8.16.6 The fit-CRENBL ECP at a Glance‣ 8.16 A Brief Guide to Q-Chem's Built-In ECPs ‣ Chapter 8 Basis Sets and Effective Core Potentials ‣ Q-Chem 6.0 User's Manual
Q-Chem 5.1 User's Manual : Converging SCF Calculations
MIT Open Access Articles #-SCF: A direct energy-targeting method to mean-field excited states
Q-Chem 5.1 User's Manual : Converging SCF Calculations
Accelerating the Convergence of Self-Consistent Field Calculations Using the Many-Body Expansion | Journal of Chemical Theory and Computation
Q-Chem 4.1 User's Manual
Starting SCF calculations by superposition of atomic densities - Van Lenthe - 2006 - Journal of Computational Chemistry - Wiley Online Library
Q-Chem 5.1 User's Manual : Theoretical Background
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Q-Chem 6.0 User's Manual
Energy Landscapes for Electronic Structure | Journal of Chemical Theory and Computation
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Q-Chem 6.0 User's Manual
Gaussian to Q-Chem: A Stationary – The Home Society of Chemistry
Q-Chem 5.0 User's Manual : Converging SCF Calculations
Starting SCF calculations by superposition of atomic densities - Van Lenthe - 2006 - Journal of Computational Chemistry - Wiley Online Library
Q-Chem 5.3 User's Manual
Triplet energy transfer - Questions - Q-Chem Talk
