Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved-Reference-Cited by-同舟云学术

Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved

Author:

Jensen Stig Rune¹²³⁴⁵,Flå Tor¹²³⁴⁵,Jonsson Dan⁶³⁴⁵,Monstad Rune Sørland¹²³⁴⁵,Ruud Kenneth¹²³⁴⁵,Frediani Luca¹²³⁴⁵

Affiliation:

1. Centre for Theoretical and Computational Chemistry

2. Department of Chemistry

3. University of Tromsø – The Arctic University of Norway

4. N-9037 Tromsø

5. Norway

6. High-Performance Computing Group

Abstract

Multiwavelets are emerging as an attractive alternative to traditional basis sets such as Gaussian-type orbitals and plane waves.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference89 articles.

1. C. J. Cramer , Essentials of Computational Chemistry, John Wiley & Sons, Chichester, 2013

2. F. Jensen , Introduction to Computational Chemistry, John Wiley & Sons, Chichester, 2013

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