메뉴 건너뛰기




Volumn 106, Issue 10, 1997, Pages 4119-4140

Benchmark calculations with correlated molecular wave functions. VIII. Bond energies and equilibrium geometries of the CHn and C2Hn (n=1-4) series

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000685202     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474078     Document Type: Article
Times cited : (116)

References (64)
  • 32
    • 5244350374 scopus 로고    scopus 로고
    • MOLPRO is a suite of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions by J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, E.-A, Reinsch, A. J. Stone, and P. R. Taylor
    • MOLPRO is a suite of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions by J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, E.-A, Reinsch, A. J. Stone, and P. R. Taylor.
  • 33
    • 5244254309 scopus 로고    scopus 로고
    • ACES II is a computational chemistry package especially designed for CC and MBPT energy and gradient calculations. Elements of this package are: the SCF, integral transformation, correlation energy, and gradient programs written by J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett; the VMOL integral and VPROPS property integral programs written by P. R. Taylor and J. Almlöf; a modified version of the integral derivative program ABACUS written by T. Helgaker, H. J. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor; and the geometry optimization and vibrational analysis package written by J. F. Stanton and D. E. Bernholdt
    • ACES II is a computational chemistry package especially designed for CC and MBPT energy and gradient calculations. Elements of this package are: the SCF, integral transformation, correlation energy, and gradient programs written by J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett; the VMOL integral and VPROPS property integral programs written by P. R. Taylor and J. Almlöf; a modified version of the integral derivative program ABACUS written by T. Helgaker, H. J. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor; and the geometry optimization and vibrational analysis package written by J. F. Stanton and D. E. Bernholdt.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.