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Volumn 58, Issue 6, 1998, Pages 4630-4636

Structural, electronic, and vibrational properties of neutral and charged [Formula Presented] clusters

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRIC EXCITATION; ELECTRON ENERGY LEVELS; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GROUND STATE; IONIZATION; ISOMERS; ISOTOPES; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS;

EID: 0032375355     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.58.4630     Document Type: Article
Times cited : (49)

References (34)
  • 14
    • 85037222387 scopus 로고    scopus 로고
    • We used the CPMD code in the parallel IBM version 2.5 developed by J. Hutter (Copyright IBM)
    • We used the CPMD code in the parallel IBM version 2.5 developed by J. Hutter (Copyright IBM).
  • 23
    • 85037188334 scopus 로고    scopus 로고
    • Increasing the cutoff to 80 Ry changed the energy difference between the two lowest-energy isomers for (Formula presented) by only 0.02 eV
    • Increasing the cutoff to 80 Ry changed the energy difference between the two lowest-energy isomers for (Formula presented) by only 0.02 eV.
  • 33
    • 85037237574 scopus 로고    scopus 로고
    • The bulk calculations were performed with full convergence with respect to k-point sampling in the Brillouin zone
    • The bulk calculations were performed with full convergence with respect to k-point sampling in the Brillouin zone.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.