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

Theoretica Chimica Acta

Volumn 92, Issue 3, 1995, Pages 149-181

  Pou Amérigo, Rosendo ^a   Merchán, Manuela ^a   Nebot Gil, Ignacio ^a   Widmark, Per Olof ^b   Roos, Björn O ^c  

^a UNIVERSITY OF VALENCIA   (Spain)

^b IBM   (Sweden)

^c CHEMICAL CENTER   (Sweden)

Author keywords

Atomic natural orbitals; Basis sets; General contraction

Indexed keywords

EID: 4243540796     PISSN: 00405744     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/BF01114922     Document Type: Article

References (23)

1. Multiconfigurational second-order perturbation theory: A test of geometries and binding energies
2. A modified coupled pair functional approach