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Volumn 97, Issue 1-4, 1997, Pages 331-340

RI-MP2: First derivatives and global consistency

Author keywords

Coulomb interaction; Electron correlation; Gradients; MP2; Perturbation theory of electronic structure

Indexed keywords


EID: 0031285839     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050269     Document Type: Article
Times cited : (1370)

References (40)
  • 10
    • 0009475799 scopus 로고
    • Brückner KA (1953) Phys Rev 97:1353; (1955) 100:36
    • (1955) Phys Rev , vol.100 , pp. 36
  • 37
    • 26344435738 scopus 로고
    • The polarization function exponents are 0.8 (H), 0.8 (C), and 1.0 (N)
    • Schäler A, Horn H, Ahlrichs R (1992) J Chem Phys 97:2571. The polarization function exponents are 0.8 (H), 0.8 (C), and 1.0 (N)
    • (1992) J Chem Phys , vol.97 , pp. 2571
    • Schäler, A.1    Horn, H.2    Ahlrichs, R.3
  • 39
    • 0010762113 scopus 로고    scopus 로고
    • note
    • A file with auxiliary basis sets for all elements investigated is available via FTP (file transfer protocol) from "ftp.chemie.unikarlsruhe.de" with login ID "anonymous" in the directory "/pub rimp2"


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.