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Volumn 356, Issue 1-3, 2009, Pages 147-152

Optimization of mixed quantum-classical dynamics: Time-derivative coupling terms and selected couplings

Author keywords

Mixed quantum classical dynamics; Non adiabatic coupling

Indexed keywords


EID: 59349094466     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.10.013     Document Type: Article
Times cited : (119)

References (43)
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    • M. Barbatti, G. Granucci, M. Ruckenbauer, J. Pittner, M. Persico, H. Lischka, NEWTON-X: a package for Newtonian dynamics close to the crossing seam, version 0.16 (2008) http://www.univie.ac.at/newtonx.
  • 38
    • 0000347429 scopus 로고
    • Yarkony D.R. (Ed), World Scientific, Singapore
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    • (1995) Advanced Series in Physical Chemistry , vol.1 , pp. 345
    • Shepard, R.1
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    • H. Lischka, R. Shepard, I. Shavitt, R.M. Pitzer, M. Dallos, T. Müller, P.G. Szalay, F.B. Brown, R. Ahlrichs, H.J. Boehm, A. Chang, D.C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Höchtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M.J.M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schüler, M. Seth, E.A. Stahlberg, J.-G. Zhao, S. Yabushita, Z. Zhang, M. Barbatti, S. Matsika, M. Schuurmann, D.R. Yarkony, S.R. Brozell, E.V. Beck, J.-P. Blaudeau, COLUMBUS, an ab initio electronic structure program, release 5.9.1, 2006. .
    • H. Lischka, R. Shepard, I. Shavitt, R.M. Pitzer, M. Dallos, T. Müller, P.G. Szalay, F.B. Brown, R. Ahlrichs, H.J. Boehm, A. Chang, D.C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Höchtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M.J.M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schüler, M. Seth, E.A. Stahlberg, J.-G. Zhao, S. Yabushita, Z. Zhang, M. Barbatti, S. Matsika, M. Schuurmann, D.R. Yarkony, S.R. Brozell, E.V. Beck, J.-P. Blaudeau, COLUMBUS, an ab initio electronic structure program, release 5.9.1, 2006. .


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.