Accelerating the Convergence of Self-Consistent Field Calculations Using the Many-Body Expansion | Journal of Chemical Theory and Computation
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Qchem Manual 4.1 | PDF
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient | Journal of Chemical Theory and Computation
12.1.1 Overview‣ 12.1 Introduction ‣ Chapter 12 Fragment-Based Methods ‣ Q- Chem 6.0 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
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
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
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient | Journal of Chemical Theory and Computation
An analysis of SCF and geometry convergence for diatomic molecules – topic of research paper in Chemical sciences. Download scholarly article PDF and read for free on CyberLeninka open science hub.
Q-Chem 6.0 User's Manual
1.3.1 Overview ofQ-ChemFeatures‣ 1.3 Q-Chem Features ‣ Chapter 1 Introduction ‣ Q-Chem 5.4 User's Manual
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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
Multilevel approach to the initial guess for self‐consistent field calculations - Hégely - 2022 - International Journal of Quantum Chemistry - Wiley Online Library
13.1.1 Introduction‣ 13.1 Geminal Models ‣ Chapter 13 Specialized Topics ‣ Q -Chem 6.0 User's Manual
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube
6.1.1 Overview‣ 6.1 Introduction ‣ Chapter 6 Wave Function-Based Correlation Methods ‣ Q-Chem 5.4 User's Manual
Q-Chem 5: Facilitating Worldwide Scientific Breakthroughs
8.16.5 The fit-CRENBS 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
Q-Chem 5.1 User's Manual : Converging SCF Calculations
