Interactive Volume Rendering of Functional Representations in Quantum Chemistry
β Scribed by Yun Jang; Varetto, U.
- Book ID
- 117939677
- Publisher
- IEEE
- Year
- 2009
- Tongue
- English
- Weight
- 907 KB
- Volume
- 15
- Category
- Article
- ISSN
- 1077-2626
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## Abstract A mathematically rigorous reformulation of molecular quantum mechanics in terms of the particle density operator and a canonically conjugated phase field is given. Using a momentum cutoff, it is shown that the usual molecular Hamiltonian can be expressed in terms of the particle density