Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient | Journal of Chemical Theory and Computation
Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear–Electronic Orbital Method | Chemical Reviews
13.1.1 Introduction‣ 13.1 Geminal Models ‣ Chapter 13 Specialized Topics ‣ Q -Chem 6.0 User's Manual
7.12.2 The Restricted Active Space (RAS) Scheme‣ 7.12 Restricted Active Space Spin-Flip (RAS-SF) and Configuration Interaction (RAS-CI) ‣ Chapter 7 Open-Shell and Excited-State Methods ‣ Q-Chem 6.0 User's Manual
Q-Chem 6.0 User's Manual
Triplet energy transfer - Questions - Q-Chem Talk
Accelerating the Convergence of Self-Consistent Field Calculations Using the Many-Body Expansion | Journal of Chemical Theory and Computation
Q-Chem 6.0 User's Manual
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
1.1.1 Overview‣ 1.1 About This Manual ‣ Chapter 1 Introduction ‣ Q-Chem 5.4 User's Manual
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient | Journal of Chemical Theory and Computation
1.3.1 Overview ofQ-ChemFeatures‣ 1.3 Q-Chem Features ‣ Chapter 1 Introduction ‣ Q-Chem 5.4 User's Manual
Diagonalization-free initial guess to SCF calculations for large molecules - ScienceDirect
Q-Chem 5: Facilitating Worldwide Scientific Breakthroughs
Q-Chem 5.1 User's Manual : Converging SCF Calculations
Multilevel approach to the initial guess for self‐consistent field calculations - Hégely - 2022 - International Journal of Quantum Chemistry - Wiley Online Library
8.16.8 The SRSC 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 5.4 User's Manual
Q‐Chem 2.0: a high‐performance ab initio electronic structure program package - Kong - 2000 - Journal of Computational Chemistry - Wiley Online Library
8.16.2 The fit-HWMB 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
Triplet energy transfer - Questions - Q-Chem Talk
6.1.1 Overview‣ 6.1 Introduction ‣ Chapter 6 Wave Function-Based Correlation Methods ‣ Q-Chem 5.4 User's Manual
Release Log for Q-Chem 5.4 | Q-Chem
Release Log for Q-Chem 5.4 | Q-Chem
