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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 108, 2010 - Issue 21-23: Electrons, Molecules, Solids, and Biosystems: Fifty Years of the Quantum Theory Project
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Invited Articles

A priori selected configuration interaction with truncation energy error, general sensitivity analysis and application to the Ne atom

Carlos F. Bunge Instituto de Física, Universidad Nacional Autónoma de México, Apdo. Postal 20-364, México 01000, MéxicoCorrespondence[email protected]
Pages 3279-3288 | Received 01 May 2010, Accepted 07 Jul 2010, Published online: 27 Aug 2010

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Robert C. Morrison. (2019) A comparison of the scalar Hermitian product versus the complex product for obtaining electron densities and Fukui functions from complex wavefunctions for the temporary anion resonance states of Be−, Mg− and Ca−. Molecular Physics 117:17, pages 2195-2200.
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Articles from other publishers (9)

Carlos F. Bunge. 2023.
Adnan Yousif Hussein. (2019) CI calculations for ground and the lowest core-excited states of Li and Li−. Physica B: Condensed Matter 570, pages 66-72.
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Mauricio Rodríguez‐Mayorga, Eloy Ramos‐Cordoba, Xabier Lopez, Miquel Solà, Jesus M. Ugalde & Eduard Matito. (2019) The Coulomb Hole of the Ne Atom. ChemistryOpen 8:4, pages 411-417.
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César X. Almora-Díaz, Alejandro Ramírez-Solís & Carlos F. Bunge. (2019) Symmetric dissociation of the water molecule with truncation energy error. A benchmark study. Physical Chemistry Chemical Physics 21:9, pages 4953-4964.
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Carlos F. Bunge. 2018. Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems. Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems 3 34 .
Adnan Yousif Hussein. (2017) Excited state electron affinity calculations for aluminum. Indian Journal of Physics 91:8, pages 845-851.
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Carlos F. Bunge. 2017. Löwdin Volume. Löwdin Volume 53 82 .
César X. Almora-Díaz, Herzain I. Rivera-Arrieta & Carlos F. Bunge. 2016. Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B. Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B 129 176 .
César X. Almora-Díaz. (2014) Highly correlated configuration interaction calculations on water with large orbital bases. The Journal of Chemical Physics 140:18.
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