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5 results in Keywords: Hartree-Fock

Theoretical and Computational Chemistry

Low-Cost Molecular Excited States from a State-Averaged Resonating Hartree-Fock Approach

Jacob Nite, Carlos A. Jimenez-Hoyos

Version 1 posted 21 March 2019

728

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Theoretical and Computational Chemistry

Theoretical Atomic Radii of Elements (H-Cm): A Non-Relativistic Study with Gaussian Basis Set Using HF, Post-HF and DFT Methods

Krishnamohan Prasanna, Sooraj Sunil, Ajith Kumar, Jamesh Joseph

Version 1 posted 02 February 2021

498

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1

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Theoretical and Computational Chemistry

A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction

Hugh G. A. Burton, Alex Thom

Version 1 posted 08 May 2019

748

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Inorganic Chemistry

Can fluorine form triple bonds?

Julian M. Kleber

Version 2 posted 25 February 2022

713

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Theoretical and Computational Chemistry

Assessment of Basis Set Projection and Many-Body Expansion for Initial Guesses of Self-Consistent Field Calculations

Fiona Yu, Christopher Seidl, Elise Palethorpe, Giuseppe Maria Junior Barca

Version 1 posted 29 October 2024

100

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