Pregled bibliografske jedinice broj: 662687
Convergence of vibrational angular momentum terms within the Watson Hamiltonian
Convergence of vibrational angular momentum terms within the Watson Hamiltonian // The Journal of chemical physics, 134 (2011), 6; 064105, 8 doi:10.1063/1.3551513 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 662687 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Convergence of vibrational angular momentum terms within the Watson Hamiltonian
Autori
Neff, Michael ; Hrenar, Tomica ; Oschetzki, Dominik ; Rauhut, Guntram
Izvornik
The Journal of chemical physics (0021-9606) 134
(2011), 6;
064105, 8
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
self-consistent-field ; ab-initio calculations ; plesset perturbation-theory ; potential-energy surfaces ; infrared-spectra ; wave-functions ; force-fields ; resolution ; molecules ; approximation
Sažetak
Vibrational angular momentum terms within the Watson Hamiltonian are often considered negligible or are approximated by the zeroth order term of an expansion of the inverse of the effective moment of inertia tensor. A multimode expansion of this tensor up to second order has been used to study the impact of first and second order terms on the vibrational transitions of N(2)H(2) and HBeH(2)BeH. Comparison with experimental data is provided. The expansion of the tensor can be exploited to introduce efficient prescreening techniques. (C) 2011 American Institute of Physics.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
MZOS-119-1191342-2959 - Spektroskopska analiza nezasićenih sustava i spojeva metala (Miljanić, Snežana, MZOS ) ( CroRIS)
Ustanove:
Prirodoslovno-matematički fakultet, Zagreb
Profili:
Tomica Hrenar
(autor)
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
- MEDLINE
