## Abstract The quantum‐mechanical virial theorem is analyzed for those systems which obey nontrivial boundary conditions and for approximate wave functions. The conditions that trial functions have to fulfill are set up in order that every expression derived from the virial theorem can be properly
✦ LIBER ✦
The virial theorem for non-coulombic interactions and scaled approximate wave functions
✍ Scribed by Hans-Herbert Schmidtke
- Publisher
- Springer
- Year
- 1967
- Tongue
- English
- Weight
- 349 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1432-2234
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The virial theorem for molecules is shown to have two different forms, one employing the energy gradient the other involving the Hellmann-Feynman force. While the former VT can be fulfilled by a uniform scaling of the basis set, the latter cannot be satisfied in certain basis sets, and can give unre