Kohn-Sham Density Functional Theory with Complex,...

Physical Review Letters 2019 / 9 Vol. 123; Iss. 11

Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma

Lee, Joonho, Bertels, Luke W., Small, David W., Head-Gordon, Martin
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Volume:
123
Journal:
Physical Review Letters
DOI:
10.1103/PhysRevLett.123.113001
Date:
September, 2019
File:
PDF, 614 KB
2019
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