Literature DB >> 9911536

Obtaining a gradient-corrected kinetic-energy functional from the Perdew-Wang exchange functional.

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Abstract

Year:  1994        PMID： 9911536     DOI： 10.1103/physreva.50.5328

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


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  5 in total

1.  Interaction energies in non-covalently bound intermolecular complexes derived using the subsystem formulation of density functional theory.

Authors:  Marcin Dułak; Tomasz A Wesołowski
Journal:  J Mol Model       Date:  2007-03-13       Impact factor: 1.810

2.  Towards the description of charge transfer states in solubilised LHCII using subsystem DFT.

Authors:  Souloke Sen; Lucas Visscher
Journal:  Photosynth Res       Date:  2022-08-21       Impact factor: 3.429

3.  Environment Effects on X-Ray Absorption Spectra With Quantum Embedded Real-Time Time-Dependent Density Functional Theory Approaches.

Authors:  Matteo De Santis; Valérie Vallet; André Severo Pereira Gomes
Journal:  Front Chem       Date:  2022-02-28       Impact factor: 5.221

4.  Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn-Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques.

Authors:  Matteo De Santis; Diego Sorbelli; Valérie Vallet; André Severo Pereira Gomes; Loriano Storchi; Leonardo Belpassi
Journal:  J Chem Theory Comput       Date:  2022-09-29       Impact factor: 6.578

5.  Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions.

Authors:  Matteo De Santis; Leonardo Belpassi; Christoph R Jacob; André Severo Pereira Gomes; Francesco Tarantelli; Lucas Visscher; Loriano Storchi
Journal:  J Chem Theory Comput       Date:  2020-08-15       Impact factor: 6.006
  5 in total

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