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Volumn 122, Issue 8, 2005, Pages

Comment on "excitations in photoactive molecules from quantum Monte Carlo" [J. Chem. Phys. 121, 5836 (2004)]

Author keywords

[No Author keywords available]

Indexed keywords

FORMALDIMINE; HIGH-LEVEL AB INITIO CALCULATIONS; PHOTOISOMERIZATION; RESTRICTED OPEN-SHELL KOHN-SHAM (ROKS);

EID: 22944461090     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1844291     Document Type: Article
Times cited : (7)

References (12)
  • 1
    • 5444252576 scopus 로고    scopus 로고
    • F. Schautz, F. Buda, and C. Filippi, J. Chem. Phys. 121, 5836 (2004).
    • (2004) J. Chem. Phys. , vol.121 , pp. 5836
    • Schautz, F.1
  • 2
    • 0000074308 scopus 로고    scopus 로고
    • I. Frank, J. Hutter, D. Marx, and M. Parrinello, J. Chem. Phys. 108, 4060 (1998).
    • (1998) J. Chem. Phys. , vol.108 , pp. 4060
    • Frank, I.1
  • 3
    • 0347682277 scopus 로고    scopus 로고
    • S. Grimm, C. Nonnenberg, and I. Frank, J. Chem. Phys. 119, 11574 (2003);
    • (2003) J. Chem. Phys. , vol.119 , pp. 11574
    • Grimm, S.1
  • 10
    • 0142212575 scopus 로고    scopus 로고
    • MPI-FKF Stuttgart and IBM Zurich; 15 a.u. cubic box, BLYP/ 70 Ry /Troullier-Martins pseudopotentials
    • CPMD 3.4: J. Hutter et al., MPI-FKF Stuttgart and IBM Zurich; 15 a.u. cubic box, BLYP/ 70 Ry /Troullier-Martins pseudopotentials
    • CPMD 3.4
    • Hutter, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.