Ab initio molecular dynamics in an all-electron mixed-basis approach: Application to atomic insertions to C60

Modelling and Simulation in Materials Science and Engineering

Volumn 7, Issue 4, 1999, Pages 621-630

  Shiga, Keiichiro ^a   Ohno, Kaoru ^a   Maruyama, Yutaka ^b   Kawazoe, Yoshiyuki ^a   Ohtsuki, Tsutomu ^c  

^a TOHOKU UNIVERSITY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; KRYPTON; MOLECULAR DYNAMICS; POTASSIUM;

ALL ELECTRON MIXED BASIS APPROACH; NUMERICAL ATOMIC ORBITALS;

FULLERENES;

EID: 0032678952     PISSN: 09650393     EISSN: None     Source Type: Journal    
DOI: 10.1088/0965-0393/7/4/310     Document Type: Article

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