Theory and application of explicitly correlated Gaussians

Jim Mitroy, Sergiy Bubin, Wataru Horiuchi, Yasuyuki Suzuki, Ludwik Adamowicz, Wojciech Cencek, Krzysztof Szalewicz, Jacek Komasa, D. Blume, Kálmán Varga

Research output: Contribution to journalArticle

168 Citations (Scopus)

Abstract

The variational method complemented with the use of explicitly correlated Gaussian basis functions is one of the most powerful approaches currently used for calculating the properties of few-body systems. Despite its conceptual simplicity, the method offers great flexibility, high accuracy, and can be used to study diverse quantum systems, ranging from small atoms and molecules to light nuclei, hadrons, quantum dots, and Efimov systems. The basic theoretical foundations are discussed, recent advances in the applications of explicitly correlated Gaussians in physics and chemistry are reviewed, and the strengths and weaknesses of the explicitly correlated Gaussians approach are compared with other few-body techniques.

Original languageEnglish
Pages (from-to)693-749
Number of pages57
JournalReviews of Modern Physics
Volume85
Issue number2
DOIs
Publication statusPublished - May 6 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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    Mitroy, J., Bubin, S., Horiuchi, W., Suzuki, Y., Adamowicz, L., Cencek, W., Szalewicz, K., Komasa, J., Blume, D., & Varga, K. (2013). Theory and application of explicitly correlated Gaussians. Reviews of Modern Physics, 85(2), 693-749. https://doi.org/10.1103/RevModPhys.85.693