Literature DB >> 9909371

Ground-state correlation energies for atomic ions with 3 to 18 electrons.

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Abstract

Year:  1993        PMID： 9909371     DOI： 10.1103/physreva.47.3649

Source DB:  PubMed          Journal:  Phys Rev A        ISSN： 1050-2947            Impact factor:   3.140


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  10 in total

1.  From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties.

Authors:  Xin Xu; William A Goddard
Journal:  Proc Natl Acad Sci U S A       Date:  2004-02-23       Impact factor: 11.205

2.  Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistry.

Authors:  Roberto Peverati; Donald G Truhlar
Journal:  J Chem Phys       Date:  2011-11-21       Impact factor: 3.488

3.  Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm.

Authors:  Samuel Manzer; Paul R Horn; Narbe Mardirossian; Martin Head-Gordon
Journal:  J Chem Phys       Date:  2015-07-14       Impact factor: 3.488

4.  Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional.

Authors:  Narbe Mardirossian; Martin Head-Gordon
Journal:  J Chem Phys       Date:  2018-06-28       Impact factor: 3.488

5.  The transferability limits of static benchmarks.

Authors:  Thomas Weymuth; Markus Reiher
Journal:  Phys Chem Chem Phys       Date:  2022-06-22       Impact factor: 3.945

Review 6.  Range separation and local hybridization in density functional theory.

Authors:  Thomas M Henderson; Benjamin G Janesko; Gustavo E Scuseria
Journal:  J Phys Chem A       Date:  2008-12-11       Impact factor: 2.781

7.  Reparametrization of the Colle-Salvetti formula.

Authors:  Adam L Baskerville; Msugh Targema; Hazel Cox
Journal:  R Soc Open Sci       Date:  2022-01-05       Impact factor: 2.963

8.  Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule.

Authors:  Andrea Zen; Ye Luo; Sandro Sorella; Leonardo Guidoni
Journal:  J Chem Theory Comput       Date:  2013-10-08       Impact factor: 6.006

9.  General Correlated Geminal Ansatz for Electronic Structure Calculations: Exploiting Pfaffians in Place of Determinants.

Authors:  Claudio Genovese; Tomonori Shirakawa; Kousuke Nakano; Sandro Sorella
Journal:  J Chem Theory Comput       Date:  2020-09-17       Impact factor: 6.006

10.  Correlated Wave Functions for Electron-Positron Interactions in Atoms and Molecules.

Authors:  Jorge Alfonso Charry Martinez; Matteo Barborini; Alexandre Tkatchenko
Journal:  J Chem Theory Comput       Date:  2022-03-25       Impact factor: 6.006
  10 in total

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