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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 101, 2003 - Issue 13
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Original Articles

QC-DMRG study of the ionic-neutral curve crossing of LiF

Ö. LEGEZA Chair of Theoretical Chemistry, Friedrich-Alexander University Erlangen-Nuremberg, Egerlandstr. 3, D-91058, Erlangen, Germany
,
J. RÖDER Chair of Theoretical Chemistry, Friedrich-Alexander University Erlangen-Nuremberg, Egerlandstr. 3, D-91058, Erlangen, Germany
&
B. A. HESS Chair of Theoretical Chemistry, Friedrich-Alexander University Erlangen-Nuremberg, Egerlandstr. 3, D-91058, Erlangen, Germany
Pages 2019-2028 | Received 09 Aug 2002, Accepted 20 Nov 2002, Published online: 18 Nov 2009

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Gergely Barcza, Anton Pershin, Adam Gali & Örs Legeza. (2023) Excitation spectra of fully correlated donor-acceptor complexes by density matrix renormalisation group. Molecular Physics 121:11-12.
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Takashi Kawakami, Shinsuke Sano, Toru Saito, Sandeep Sharma, Mitsuo Shoji, Satoru Yamada, Yu Takano, Shusuke Yamanaka, Mitsutaka Okumura, Takahito Nakajima & Kizashi Yamaguchi. (2017) UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters. Molecular Physics 115:17-18, pages 2154-2167.
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Ming-jie Wan, Duo-hui Huang, Jun-sheng Yang, Qi-long Cao, Cheng-guo Jin & Fan-hou Wang. (2015) Low-lying electronic states of LiF molecule with inner electrons correlation. Molecular Physics 113:11, pages 1359-1367.
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Yuki Kurashige. (2014) Multireference electron correlation methods with density matrix renormalisation group reference functions. Molecular Physics 112:11, pages 1485-1494.
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Udo Benedikt, Henry Auer, Mike Espig, Wolfgang Hackbusch & AlexanderA. Auer. (2013) Tensor representation techniques in post-Hartree–Fock methods: matrix product state tensor format. Molecular Physics 111:16-17, pages 2398-2413.
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Eric Neuscamman, Takeshi Yanai & Garnet Kin-Lic Chan. (2010) A review of canonical transformation theory. International Reviews in Physical Chemistry 29:2, pages 231-271.
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Michael Hanrath. (2008) Multi-reference coupled-cluster study of the ionic-neutral curve crossing LiF. Molecular Physics 106:15, pages 1949-1957.
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Karen A. Hallberg. (2006) New trends in density matrix renormalization. Advances in Physics 55:5-6, pages 477-526.
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Henrik R. Larsson. A tensor network view of multilayer multiconfiguration time-dependent Hartree methods. Molecular Physics 0:0.
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