DMRG on Top of Plane-Wave Kohn–Sham Orbitals: A Case Study of Defected Boron Nitride

Author:

Barcza Gergely12,Ivády Viktor13ORCID,Szilvási Tibor45ORCID,Vörös Márton6ORCID,Veis Libor2ORCID,Gali Ádám17ORCID,Legeza Örs1ORCID

Affiliation:

1. Wigner Research Centre for Physics, P.O. Box 49, Budapest H-1525, Hungary

2. J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences, Prague CZ-18223, Czechia

3. Department of Physics, Chemistry and Biology, Linköping University, Linköping SE-581 83, Sweden

4. Department of Chemical and Biological Engineering, University of Wisconsin−Madison, Madison, Wisconsin 53706, United States

5. Department of Chemical and Biological Engineering, The University of Alabama, Tuscaloosa, Alabama 35487, United States

6. Material Sciences Division, Argonne National Laboratory, Lemont, Illinois 60439, United States

7. Department of Atomic Physics, Budapest University of Technology and Economics, Budapest H-1111, Hungary

Funder

Magyar Tudom?nyos Akad?mia

Grantov? Agentura Cesk? Republiky

Knut och Alice Wallenbergs Stiftelse

Nemzeti Kutat?si Fejleszt?si ?s Innov?ci?s Hivatal

U.S. Department of Energy

Alexander von Humboldt-Stiftung

Excitation and Correlated phenomena

MTA Premium Postdoctoral Research Program

Bolyai Research Scholarship of HAS

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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