Some theoretical investigations on singly excited states of two-electron systems
β Scribed by J. Midtdal; K. Aashamar; G. Lyslo
- Publisher
- Elsevier Science
- Year
- 1970
- Weight
- 227 KB
- Volume
- 90
- Category
- Article
- ISSN
- 0029-554X
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π SIMILAR VOLUMES
The problem of determining SCF wave functions for excited electronic states is examined for singlet states of two-electron systems using a Lowdin natural orbital transformation of the full CI wave function. This analysis facilitates the comparison of various SCF methods with one another. The distrib
Near-equilibrium four-dimensional potential energy surfaces (stretching coordinates only) have been calculated for the two lowest electronic states of HC,NC+ (B'II and A 'X). With a large dipole moment of A= -4.33 D and a B0 value of 4949( 10) MHz, the 3 \*l-l state appears to be a suitable candidat
An expression ior the transition matrix element between excited states is given in terms of the solutions to the time-dependent Ha-tree-Fock eigenvalue ditierendal equations. Some dipc4e oscillator saengths and transirioo moments are evaluated for members of the helium isoelectronic sequence.