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1 Ergebnisse
1
Explicit-by-Implicit Treatment of Natural Orbital Occupatio..:
Yao, Yi-Fan
;
Zhang, Zhang
;
Fang, Wei-Hai
.
The Journal of Physical Chemistry A. 126 (2022) 33 - p. 5654-5662 , 2022
Link:
https://doi.org/10.1021/acs.jpca.2c02345
RT Journal T1 <Title>Explicit-by-Implicit Treatment of Natural Orbital Occupations Using First- and Second-Order Optimization Algorithms: A Comparative Study</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jpca.2c02345&Exemplar=1&LAN=DE A1 Yao, Yi-Fan A1 Zhang, Zhang A1 Fang, Wei-Hai A1 Su, Neil Qiang PB American Chemical Society (ACS) YR 2022 SN 1089-5639 SN 1520-5215 JF The Journal of Physical Chemistry A VO 126 IS 33 SP 5654 OP 5662 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpca.2c02345 DO https://doi.org/10.1021/acs.jpca.2c02345 SF ELIB - SuUB Bremen
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