Pseudodiagonalization Method for Accelerating Nonlinear Subspace Diagonalization in Density Functional Theory

Shah, Shikhar; Suryanarayana, Phanish; Chow, Edmond

doi:10.1021/acs.jctc.2c00166

Pseudodiagonalization Method for Accelerating Nonlinear Subspace Diagonalization in Density Functional Theory

Journal Article · 24 May 2022 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.2c00166· OSTI ID:1977928

^[1]; Suryanarayana, Phanish ^[2]; ^[1]

School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30313, United States
School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30332, United States

Not provided.

Research Organization:: Georgia Institute of Technology, Atlanta, GA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019410

OSTI ID:: 1977928

Journal Information:: Journal of Chemical Theory and Computation, Vol. 18, Issue 6; ISSN 1549-9618

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (30)

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