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ERGOSCF.ORG

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How to cite Ergo. Welcome to the Ergo home page! ErgoSCF.org is the home of Ergo, a quantum chemistry program for large-scale self-consistent field calculations. Key features of the Ergo program:. Performs electronic structure calculations using Hartree-Fock and Kohn-Sham density functional theory. Written in C . Uses Gaussian basis sets. Both core and valence electrons are included in the calculations. Both restricted and unrestricted models are implemented for energy calculations.

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How to cite Ergo. Welcome to the Ergo home page! ErgoSCF.org is the home of Ergo, a quantum chemistry program for large-scale self-consistent field calculations. Key features of the Ergo program:. Performs electronic structure calculations using Hartree-Fock and Kohn-Sham density functional theory. Written in C . Uses Gaussian basis sets. Both core and valence electrons are included in the calculations. Both restricted and unrestricted models are implemented for energy calculations.
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ErgoSCF main page | ergoscf.org Reviews

https://ergoscf.org

How to cite Ergo. Welcome to the Ergo home page! ErgoSCF.org is the home of Ergo, a quantum chemistry program for large-scale self-consistent field calculations. Key features of the Ergo program:. Performs electronic structure calculations using Hartree-Fock and Kohn-Sham density functional theory. Written in C . Uses Gaussian basis sets. Both core and valence electrons are included in the calculations. Both restricted and unrestricted models are implemented for energy calculations.

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List of quantum chemistry and solid-state physics software - Wikipedia, the free encyclopedia

https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid_state_physics_software

List of quantum chemistry and solid-state physics software. From Wikipedia, the free encyclopedia. Redirected from List of quantum chemistry and solid state physics software. Quantum chemistry computer programs. Are used in computational chemistry. To implement the methods of quantum chemistry. Most include the Hartree Fock. HF) and some post-Hartree Fock. Methods. They may also include density functional theory. DFT), molecular mechanics. Or semi-empirical quantum chemistry methods. Spline / Grid / STO.

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ErgoSCF main page

How to cite Ergo. Welcome to the Ergo home page! ErgoSCF.org is the home of Ergo, a quantum chemistry program for large-scale self-consistent field calculations. Key features of the Ergo program:. Performs electronic structure calculations using Hartree-Fock and Kohn-Sham density functional theory. Written in C . Uses Gaussian basis sets. Both core and valence electrons are included in the calculations. Both restricted and unrestricted models are implemented for energy calculations.

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