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Volumn 131, Issue 22, 2009, Pages

Quantum algorithm for molecular properties and geometry optimization

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY DERIVATIVES; GEOMETRY OPTIMIZATION; GLOBAL MINIMA; MOLECULAR ENERGIES; MOLECULAR GEOMETRIES; MOLECULAR PROPERTIES; MULTISTART; NEWTON'S METHODS; NUMERICAL EVALUATIONS; QUANTUM ALGORITHMS; QUANTUM SIMULATIONS; QUANTUM TECHNIQUES; TIME COST;

EID: 72449209183     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3266959     Document Type: Article
Times cited : (76)

References (30)
  • 2
    • 84931507903 scopus 로고
    • 0026-8976. 10.1080/00268976900100941
    • P. Pulay, Mol. Phys. 0026-8976 17, 197 (1969). 10.1080/00268976900100941
    • (1969) Mol. Phys. , vol.17 , pp. 197
    • Pulay, P.1
  • 3
    • 85048704389 scopus 로고
    • 0065-2385. 10.1002/9780470142943.ch4
    • P. Pulay, Adv. Chem. Phys. 0065-2385 69, 241 (1987). 10.1002/ 9780470142943.ch4
    • (1987) Adv. Chem. Phys. , vol.69 , pp. 241
    • Pulay, P.1
  • 4
    • 6744222031 scopus 로고
    • 0065-3276. 10.1016/S0065-3276(08)60616-4
    • T. Helgaker and P. Jørgensen, Adv. Quantum Chem. 0065-3276 19, 183 (1988). 10.1016/S0065-3276(08)60616-4
    • (1988) Adv. Quantum Chem. , vol.19 , pp. 183
    • Helgaker, T.1    Jørgensen, P.2
  • 6
    • 0000347429 scopus 로고
    • edited by D. Yarkony (World Scientific, Singapore)
    • R. Shepard, in Modern Electronic Structure Theory, edited by, D. Yarkony, (World Scientific, Singapore, 1995), pp. 345-458.
    • (1995) Modern Electronic Structure Theory , pp. 345-458
    • Shepard, R.1
  • 7
    • 0000355296 scopus 로고
    • edited by D. Yarkony (World Scientific, Singapore)
    • P. Pulay, in Modern Electronic Structure Theory, edited by, D. Yarkony, (World Scientific, Singapore, 1995), pp. 1191-1240.
    • (1995) Modern Electronic Structure Theory , pp. 1191-1240
    • Pulay, P.1
  • 8
    • 0004699251 scopus 로고    scopus 로고
    • edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, New York)
    • T. Helgaker, in The Encyclopedia of Computational Chemistry, edited by, P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (Wiley, New York, 1998), pp. 1157-1169.
    • (1998) The Encyclopedia of Computational Chemistry , pp. 1157-1169
    • Helgaker, T.1
  • 9
    • 24644496083 scopus 로고    scopus 로고
    • Chemistry: Simulated quantum computation of molecular energies
    • DOI 10.1126/science.1113479
    • A. Aspuru-Guzik, A. D. Dutoi, P. J. Love, and M. Head-Gordon, Science 0036-8075 309, 1704 (2005). 10.1126/science.1113479 (Pubitemid 41285935)
    • (2005) Science , vol.309 , Issue.5741 , pp. 1704-1707
    • Aspuru-Guzik, A.1    Dutoi, A.D.2    Love, P.J.3    Head-Gordon, M.4
  • 14
    • 27144506980 scopus 로고    scopus 로고
    • Fast quantum algorithm for numerical gradient estimation
    • DOI 10.1103/PhysRevLett.95.050501, 050501
    • S. P. Jordan, Phys. Rev. Lett. 0031-9007 95, 050501 (2005). 10.1103/PhysRevLett.95.050501 (Pubitemid 41506120)
    • (2005) Physical Review Letters , vol.95 , Issue.5 , pp. 1-4
    • Jordan, S.P.1
  • 17
    • 33750165209 scopus 로고    scopus 로고
    • The complexity of the local hamiltonian problem
    • DOI 10.1137/S0097539704445226
    • J. Kempe, A. Kitaev, and O. Regev, SIAM J. Comput. 0097-5397 35, 1070 (2006). 10.1137/S0097539704445226 (Pubitemid 44599919)
    • (2006) SIAM Journal on Computing , vol.35 , Issue.5 , pp. 1070-1097
    • Kempe, J.1    Kitaev, A.2    Regev, O.3
  • 18
    • 72449204975 scopus 로고    scopus 로고
    • A. Y. Kitaev, e-print arXiv:quant-ph/9511026
    • A. Y. Kitaev, e-print arXiv:quant-ph/9511026.
  • 19
    • 0009694291 scopus 로고    scopus 로고
    • 0031-9007. 10.1103/PhysRevLett.83.5162
    • D. S. Abrams and S. Lloyd, Phys. Rev. Lett. 0031-9007 83, 5162 (1999). 10.1103/PhysRevLett.83.5162
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 5162
    • Abrams, D.S.1    Lloyd, S.2
  • 21
    • 1542405949 scopus 로고    scopus 로고
    • 0950-1207. 10.1098/rspa.1998.0162
    • C. Zalka, Proc. R. Soc. London, Ser. A 0950-1207 454, 313 (1998). 10.1098/rspa.1998.0162
    • (1998) Proc. R. Soc. London, Ser. A , vol.454 , pp. 313
    • Zalka, C.1
  • 22
    • 0003170190 scopus 로고    scopus 로고
    • 1063-651X. 10.1103/PhysRevE.59.2429
    • D. A. Lidar and H. Wang, Phys. Rev. E 1063-651X 59, 2429 (1999). 10.1103/PhysRevE.59.2429
    • (1999) Phys. Rev. E , vol.59 , pp. 2429
    • Lidar, D.A.1    Wang, H.2
  • 24
    • 33746893411 scopus 로고    scopus 로고
    • Limitations of quantum simulation examined by simulating a pairing hamiltonian using nuclear magnetic resonance
    • DOI 10.1103/PhysRevLett.97.050504
    • K. R. Brown, R. J. Clark, and I. L. Chuang, Phys. Rev. Lett. 0031-9007 97, 050504 (2006). 10.1103/PhysRevLett.97.050504 (Pubitemid 44188133)
    • (2006) Physical Review Letters , vol.97 , Issue.5 , pp. 050504
    • Brown, K.R.1    Clark, R.J.2    Chuang, I.L.3
  • 26
    • 72449210319 scopus 로고    scopus 로고
    • D. Bulger, e-print arXiv:quant-ph/0507193
    • D. Bulger, e-print arXiv:quant-ph/0507193.
  • 27
    • 34547378662 scopus 로고    scopus 로고
    • 0022-3239. 10.1007/s10957-007-9168-2
    • D. Bulger, J. Optim. Theory Appl. 0022-3239 133, 289 (2007). 10.1007/s10957-007-9168-2
    • (2007) J. Optim. Theory Appl. , vol.133 , pp. 289
    • Bulger, D.1
  • 29
    • 72449166793 scopus 로고    scopus 로고
    • J. Zhu, Z. Huang, and S. Kais, e-print arXiv:0906.2375
    • J. Zhu, Z. Huang, and S. Kais, e-print arXiv:0906.2375.
  • 30
    • 72449198819 scopus 로고    scopus 로고
    • C. Dürr and P. Høyer, e-print arXiv:quant-ph/9607014
    • C. Dürr and P. Høyer, e-print arXiv:quant-ph/9607014.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.