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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

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

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

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

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) Q-Chem 3.0: A high-performance quantum chemistry program package for  molecular electronic structure calculations CONTRIBUTING AUTHOR LIST | Emil  Proynov - Academia.edu
PDF) Q-Chem 3.0: A high-performance quantum chemistry program package for molecular electronic structure calculations CONTRIBUTING AUTHOR LIST | Emil Proynov - Academia.edu

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

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

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

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

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

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

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

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

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

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

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

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

A tiered approach to Monte Carlo sampling with self-consistent field  potentials: The Journal of Chemical Physics: Vol 135, No 18
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18

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

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

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

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