TY  - GEN
AU  - Gaus,Michael
AU  - Jin,Haiyun
AU  - Demapan,Darren
AU  - Christensen,Anders S
AU  - Goyal,Puja
AU  - Elstner,Marcus
AU  - Cui,Qiang
TI  - DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters
SN  - 1549-9626
PY  - 2016///0620
KW  - Copper
KW  - chemistry
KW  - Organometallic Compounds
KW  - Quantum Theory
N1  - Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S
UR  - https://doi.org/10.1021/acs.jctc.5b00600
ER  -