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Quasi-potential approach to the three-quark nucleon wave function

✍ Scribed by S. G. Shul’ga; T. P. Il’icheva

Publisher
Springer
Year
2004
Tongue
English
Weight
229 KB
Volume
47
Category
Article
ISSN
1573-9228

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New approach to the rapid semiempirical
New approach to the rapid semiempirical calculation of molecular electrostatic potentials based on the am1 wave function: Comparison with ab initio hf/6-31g* results
✍ George P. Ford; Bingze Wang 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 942 KB

A new approach to the computation of molecular electrostatic potentials based on the AM1 wave function is described. In contrast to the prevailing philosophy, but consistent with the underlying NDDO approximation, no deorthogonalization of the wave function is carried out. The integrals required for