Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions - I. First row atoms

Theoretica Chimica Acta

Volumn 77, Issue 5, 1990, Pages 291-306

  Widmark, Per Olof ^a   Malmqvist, Per Åke ^b   Roos, Björn O ^b  

^a IBM   (Sweden)

^b CHEMICAL CENTER   (Sweden)

Author keywords

Atomic natural orbitals; Basis sets; General contraction

Indexed keywords

EID: 0042106817     PISSN: 00405744     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/BF01120130     Document Type: Article

References (18)

1. General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation
2. Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitives