메뉴 건너뛰기




Volumn 132, Issue 23, 2010, Pages

Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COSTS; COUPLED-CLUSTER SINGLES AND DOUBLES;

EID: 77953843697     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3442368     Document Type: Article
Times cited : (288)

References (21)
  • 1
    • 43149101630 scopus 로고    scopus 로고
    • Explicitly correlated coupled cluster F12 theory with single and double excitations
    • DOI 10.1063/1.2907741
    • J. Noga, S. Kedzuch, J. Šimunek, and S. Ten-No, J. Chem. Phys. JCPSA6 0021-9606 128, 174103 (2008). 10.1063/1.2907741 (Pubitemid 351644878)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.17 , pp. 174103
    • Noga, J.1    Kedzuch, S.2    Simunek, J.3    Ten-No, S.4
  • 3
    • 57149135964 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.3028546
    • A. Köhn, G. W. Richings, and D. P. Tew, J. Chem. Phys. JCPSA6 0021-9606 129, 201103 (2008). 10.1063/1.3028546
    • (2008) J. Chem. Phys. , vol.129 , pp. 201103
    • Köhn, A.1    Richings, G.W.2    Tew, D.P.3
  • 4
    • 22944452424 scopus 로고    scopus 로고
    • 12 corrections: The CCSD(R12) model
    • DOI 10.1063/1.1850094, 084107
    • H. Fliegl, W. Klopper, and C. Hättig, J. Chem. Phys. JCPSA6 0021-9606 122, 084107 (2005). 10.1063/1.1850094 (Pubitemid 41047449)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.8 , pp. 1-10
    • Fliegl, H.1    Klopper, W.2    Hattig, C.3
  • 6
    • 37149036190 scopus 로고    scopus 로고
    • A simple and efficient CCSD(T)-F12 approximation
    • DOI 10.1063/1.2817618
    • T. B. Adler, G. Knizia, and H. -J. Werner, J. Chem. Phys. JCPSA6 0021-9606 127, 221106 (2007). 10.1063/1.2817618 (Pubitemid 350262191)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.22 , pp. 221106
    • Adler, T.B.1    Knizia, G.2    Werner, H.-J.3
  • 7
  • 9
    • 46149098142 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.2939577
    • E. F. Valeev and T. D. Crawford, J. Chem. Phys. JCPSA6 0021-9606 128, 244113 (2008). 10.1063/1.2939577
    • (2008) J. Chem. Phys. , vol.128 , pp. 244113
    • Valeev, E.F.1    Crawford, T.D.2
  • 10
    • 3142707293 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.1757439
    • S. Ten-no, J. Chem. Phys. JCPSA6 0021-9606 121, 117 (2004). 10.1063/1.1757439
    • (2004) J. Chem. Phys. , vol.121 , pp. 117
    • Ten-No, S.1
  • 11
  • 12
    • 77951137581 scopus 로고    scopus 로고
    • MOPHAM 0026-8976,. 10.1080/00268970903449388
    • D. P. Tew and W. Klopper, Mol. Phys. MOPHAM 0026-8976 108, 315 (2010). 10.1080/00268970903449388
    • (2010) Mol. Phys. , vol.108 , pp. 315
    • Tew, D.P.1    Klopper, W.2
  • 13
    • 5744249665 scopus 로고    scopus 로고
    • CHPLBC 0009-2614,. 10.1016/j.cplett.2004.09.041
    • S. Ten-no, Chem. Phys. Lett. CHPLBC 0009-2614 398, 56 (2004). 10.1016/j.cplett.2004.09.041
    • (2004) Chem. Phys. Lett. , vol.398 , pp. 56
    • Ten-No, S.1
  • 14
    • 34547647924 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.1999632
    • D. P. Tew and W. Klopper, J. Chem. Phys. JCPSA6 0021-9606 123, 074101 (2005). 10.1063/1.1999632
    • (2005) J. Chem. Phys. , vol.123 , pp. 074101
    • Tew, D.P.1    Klopper, W.2
  • 15
    • 4444367231 scopus 로고    scopus 로고
    • CHPLBC 0009-2614,. 10.1016/j.cplett.2004.07.061
    • E. F. Valeev, Chem. Phys. Lett. CHPLBC 0009-2614 395, 190 (2004). 10.1016/j.cplett.2004.07.061
    • (2004) Chem. Phys. Lett. , vol.395 , pp. 190
    • Valeev, E.F.1
  • 16
    • 38949139426 scopus 로고    scopus 로고
    • CHPLBC 0009-2614,. 10.1016/j.cplett.2007.12.070
    • D. P. Tew, W. Klopper, and C. Hättig, Chem. Phys. Lett. CHPLBC 0009-2614 452, 326 (2008). 10.1016/j.cplett.2007.12.070
    • (2008) Chem. Phys. Lett. , vol.452 , pp. 326
    • Tew, D.P.1    Klopper, W.2    Hättig, C.3
  • 17
    • 74549141818 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.3291040
    • A. Köhn and D. P. Tew, J. Chem. Phys. JCPSA6 0021-9606 132, 024101 (2010). 10.1063/1.3291040
    • (2010) J. Chem. Phys. , vol.132 , pp. 024101
    • Köhn, A.1    Tew, D.P.2
  • 18
    • 77953854932 scopus 로고    scopus 로고
    • see for further information.
    • TURBOMOLE development version, 2010, see http://www.turbomole.com for further information.
    • (2010)
  • 19
    • 40149107023 scopus 로고    scopus 로고
    • Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B-Ne, and Al-Ar
    • DOI 10.1063/1.2831537
    • K. A. Peterson, T. B. Adler, and H. -J. Werner, J. Chem. Phys. JCPSA6 0021-9606 128, 084102 (2008). 10.1063/1.2831537 (Pubitemid 351328677)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.8 , pp. 084102
    • Peterson, K.A.1    Adler, T.B.2    Werner, H.-J.3
  • 20
    • 42449133459 scopus 로고    scopus 로고
    • Explicitly correlated RMP2 for high-spin open-shell reference states
    • DOI 10.1063/1.2889388
    • G. Knizia and H. -J. Werner, J. Chem. Phys. JCPSA6 0021-9606 128, 154103 (2008). 10.1063/1.2889388 (Pubitemid 351574606)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.15 , pp. 154103
    • Knizia, G.1    Werner, H.-J.2
  • 21
    • 64549093307 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.3116792
    • A. Köhn, J. Chem. Phys. JCPSA6 0021-9606 130, 131101 (2009). 10.1063/1.3116792
    • (2009) J. Chem. Phys. , vol.130 , pp. 131101
    • Köhn, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.