General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory-Reference-Cited by-同舟云学术

General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory

Published:2017 Issue:38 Volume:19 Page:26191-26200
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Roch Loïc M.¹²³⁴⁵,Baldridge Kim K.¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry

2. University of Zurich

3. 8057 Zurich

4. Switzerland

5. Health Sciences Platform

Abstract

A general optimization procedure towards the development and implementation of a new family of minimal parameter spin-component-scaled double-hybrid (mSD) density functional theory (DFT) is presented.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP04125J

Reference75 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Van der Waals Interactions Between Organic Adsorbates and at Organic/Inorganic Interfaces

4. Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

5. Dispersion-Corrected Mean-Field Electronic Structure Methods

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