Extension of the MNDO formalism to d orbitals: Integral approximations and preliminary numerical results

Theoretica Chimica Acta

Volumn 81, Issue 6, 1992, Pages 391-404

  Thiel, Walter ^a   Voityuk, Alexander A ^a  

^a UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

d orbitals; MNDO

Indexed keywords

EID: 0001379933     PISSN: 00405744     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/BF01134863     Document Type: Article

References (29)

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4. Transformation between cartesian and spherical tensors
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6. Ab InitioCalculation of One-Center Integrals of Semiempirical Theories of Valence
7. On the rotational invariance of the fock equations in indo methods usingd functions
8. Development and parametrization of sindo1 for second-row elements
9. Ground states of molecules. 53.MNDO calculations for molecules containing chlorine