On nonadiabatic calculation of dipole moments
We show that a recent non-Born–Oppenheimer calculation of dipole moments exhibits obscure points and is not consistent with the well known Hellmann–Feynman theorem.
Guardado en:
| Autor principal: | |
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2009
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/132239 |
| Aporte de: |
| id |
I19-R120-10915-132239 |
|---|---|
| record_format |
dspace |
| institution |
Universidad Nacional de La Plata |
| institution_str |
I-19 |
| repository_str |
R-120 |
| collection |
SEDICI (UNLP) |
| language |
Inglés |
| topic |
Ciencias Exactas non-Born–Oppenheimer calculation dipole moments |
| spellingShingle |
Ciencias Exactas non-Born–Oppenheimer calculation dipole moments Fernández, Francisco Marcelo On nonadiabatic calculation of dipole moments |
| topic_facet |
Ciencias Exactas non-Born–Oppenheimer calculation dipole moments |
| description |
We show that a recent non-Born–Oppenheimer calculation of dipole moments exhibits obscure points and is not consistent with the well known Hellmann–Feynman theorem. |
| format |
Articulo Articulo |
| author |
Fernández, Francisco Marcelo |
| author_facet |
Fernández, Francisco Marcelo |
| author_sort |
Fernández, Francisco Marcelo |
| title |
On nonadiabatic calculation of dipole moments |
| title_short |
On nonadiabatic calculation of dipole moments |
| title_full |
On nonadiabatic calculation of dipole moments |
| title_fullStr |
On nonadiabatic calculation of dipole moments |
| title_full_unstemmed |
On nonadiabatic calculation of dipole moments |
| title_sort |
on nonadiabatic calculation of dipole moments |
| publishDate |
2009 |
| url |
http://sedici.unlp.edu.ar/handle/10915/132239 |
| work_keys_str_mv |
AT fernandezfranciscomarcelo onnonadiabaticcalculationofdipolemoments |
| bdutipo_str |
Repositorios |
| _version_ |
1764820456127332352 |