A new nonempirical tuning scheme with single self-consistent field calculation: Comparison with global and IP-tuned range-separated functional-Reference-Cited by-同舟云学术

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A new nonempirical tuning scheme with single self-consistent field calculation: Comparison with global and IP-tuned range-separated functional

Published:2017-07-18 Issue:26 Volume:38 Page:2258-2267
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Borpuzari Manash Protim¹^ORCID,Kar Rahul¹

Affiliation:

1. Department of Chemistry; Dibrugarh University; Dibrugarh Assam 786004 India

Funder

Council of Scientific and Industrial Research

SERB

University Grants Commission

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference87 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Linearity condition for orbital energies in density functional theory: Construction of orbital-specific hybrid functional

4. Band structure calculations based on screened Fock exchange method

5. Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities

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