Pseudopotential MRD CI calculations of nickel-containing molecules. II. The electronic 1Σ+ ground state and 20 low-lying excited states of the NiSi molecule

Chemical Physics

Volumn 138, Issue 2-3, 1989, Pages 315-325

  Haberlandt, Helmut ^a  

^a Saxonian Academy of Sciences   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000091957     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(89)87138-1     Document Type: Article

References (33)

1. Electronic properties on silicon-transition metal interface compounds
2. Transition Metal Molecules
3. Mass spectrometric determination of the dissociation energies of the gaseous molecules FeSi, CoSi and NiSi
4. Non-empirical pseudopotentials for molecular calculations
5. Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques
6. Studies in Physical and Theoretical Chemistry
7. Configuration interaction calculations on the nitrogen molecule
8. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
9. Lecture Notes in Chemistry
10. Atomic Energy Levels