## Abstract A resolution of Roothaan's HF–SCF–LCAO–MO equations is proposed in which atomic orbital exponents (ζ) are made dependent on the molecular charge distribution and included in the self‐consistent scheme. Screening parameters so obtained are self‐consistent with the molecular orbital coeff
Ab initio self-consistent laser theory and random lasers
✍ Scribed by Türeci, Hakan E; Stone, A Douglas; Ge, Li; Rotter, Stefan; Tandy, Robert J
- Book ID
- 120457586
- Publisher
- Institute of Physics
- Year
- 2008
- Tongue
- English
- Weight
- 1017 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0951-7715
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📜 SIMILAR VOLUMES
CnN-cluster anions can be generated from laser ablation of appropriate samples. Mass spectrometry studies have found that the CnN-with odd n are much more stable than those with even n. Based on ab initio calculations for the electron detachment energies and fragmentation energies of CnN-anions, the
## Abstract The __ab initio__ multiconfiguration self‐consistent‐field (MC SCF) techniques and computer programs of Basch [1, 2] and the __ab initio__ configuration interaction (CI) techniques and programs of Whitten and Hackmeyer [3] have been combined and generalized to form a general technique a