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Volumn 5, Issue 3, 2009, Pages 491-499

Gaussian basis set and planewave relativistic spin-orbit methods in NWChem

Author keywords

[No Author keywords available]

Indexed keywords


EID: 65249111025     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct8002892     Document Type: Article
Times cited : (69)

References (40)
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    • Hess, B. A. Phys. Rev. A 1985, 32, 756. 1986, 33, 3742. .
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    • Bylaska, E. J, de Jong, W. A, Govind, N, Kowalski, K, Straatsma, T. P, Valiev, M, Wang, D, Apra, E, Windus, T. L, Hammond, J, Nichols, P, Hirata, S, Hackler, M. T, Zhao, Y, Fan, P.-D, Harrison, R. J, Dupuis, M, Smith, D. M. A, Nieplocha, J, Tipparaju, V, Krishnan, M, Wu, Q, Van Voorhis, T, Auer, A. A, Nooijen, M, Brown, E, Cisneros, G, Fann, G. I, Fruchtl, H, Garza, J, Hirao, K, Kendall, R, Nichols, J. A, Tsemekhman, K, Wolinski, K, Anchell, J, Bernholdt, D, Borowski, P, Clark, T, Clerc, D, Dachsel, H, Deegan, M, Dyall, K, Elwood, D, Glendening, E, Gutowski, M, Hess, A, Jaffe, J, Johnson, B, Ju, J, Kobayashi, R, Kutteh, R, Lin, Z, Littlefield, R, Long, X, Meng, B, Nakajima, T, Niu, S, Pollack, L, Rosing, M, Sandrone, G, Stave, M, Taylor, H, Thomas, G, van Lenthe, J, Wong, A, Zhang, Z. NWChem, A Computational Chemistry Package for Parallel Computers; version 5.1, Pacific Northwest National Laboratory: Richland, WA
    • Bylaska, E. J.; de Jong, W. A.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Valiev, M.; Wang, D.; Apra, E.; Windus, T. L.; Hammond, J.; Nichols, P.; Hirata, S.; Hackler, M. T.; Zhao, Y.; Fan, P.-D.; Harrison, R. J.; Dupuis, M.; Smith, D. M. A.; Nieplocha, J.; Tipparaju, V.; Krishnan, M.; Wu, Q.; Van Voorhis, T.; Auer, A. A.; Nooijen, M.; Brown, E.; Cisneros, G.; Fann, G. I.; Fruchtl, H.; Garza, J.; Hirao, K.; Kendall, R.; Nichols, J. A.; Tsemekhman, K.; Wolinski, K.; Anchell, J.; Bernholdt, D.; Borowski, P.; Clark, T.; Clerc, D.; Dachsel, H.; Deegan, M.; Dyall, K.; Elwood, D.; Glendening, E.; Gutowski, M.; Hess, A.; Jaffe, J.; Johnson, B.; Ju, J.; Kobayashi, R.; Kutteh, R.; Lin, Z.; Littlefield, R.; Long, X.; Meng, B.; Nakajima, T.; Niu, S.; Pollack, L.; Rosing, M.; Sandrone, G.; Stave, M.; Taylor, H.; Thomas, G.; van Lenthe, J.; Wong, A.; Zhang, Z. NWChem, A Computational Chemistry Package for Parallel Computers; version 5.1, Pacific Northwest National Laboratory: Richland, WA, 2007; 99352-0999.
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    • 10th ed, Addison Wesley Publishing Co, Reading, MA
    • Sakurai, J. J. Advanced Quantum Mechanics, 10th ed.; Addison Wesley Publishing Co.: Reading, MA, 1967.
    • (1967) Advanced Quantum Mechanics
    • Sakurai, J.J.1
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    • Huber, K. P.; Herzberg, G. (data prepared by Gallagher, J. W.; Johnson, R. D., III.) Constants of Diatomic Molecules. In NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Linstrom, P. J., Mallard, W. G., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, June 2005; http://webbook.nist.gov (accessed June 1, 2008).
    • Huber, K. P.; Herzberg, G. (data prepared by Gallagher, J. W.; Johnson, R. D., III.) Constants of Diatomic Molecules. In NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Linstrom, P. J., Mallard, W. G., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, June 2005; http://webbook.nist.gov (accessed June 1, 2008).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.