Curvilinear coordinates and the dushinsky relation in the theory of molecular spectra. Analysis of the nuclear subsystem
✍ Scribed by V. I. Berezin; M. D. Él'kin
- Book ID
- 104873065
- Publisher
- Springer US
- Year
- 1991
- Tongue
- English
- Weight
- 255 KB
- Volume
- 55
- Category
- Article
- ISSN
- 0021-9037
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📜 SIMILAR VOLUMES
The generator coordinate trial function is written as the adiabatic, product-type state plus a non-adiabatic contribution. Equating the resulting energy shift with the magnitude of non-adiabatic corrections gives an estimate of the width of nuclear basis states. A test calculation for a molecule-lik
the boundary and the interior regions. Thus, it may be concluded that a chiral absorber provides an efficient and simple boundary termination for the FDTD method. ## Conclusions In this work, we have investigated the possibility of using a chiral absorber to terminate the grid in an FDTD scheme. T
## Abstract A general model for the vibrational interactions of the hydrogen bonds in molecular crystals is presented. The energy and the intensity distributions of the IR spectra of the 1‐methylthymine and uracil crystals are correctly reproduced.