Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Leonid V. Poluyanov"'
Autor:
V. G. Ushakov, Leonid V. Poluyanov
Publikováno v:
Russian Journal of Physical Chemistry B. 15:407-412
In this study, a vibronic matrix that describes the singlet-triplet interaction of the 1Π and 3Σ– terms in linear triatomic molecules is obtained. The analysis is carried out taking into account the spin-orbit interaction in the electronic Hamilt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::99dc6e16fc488dd9ce9c331603c238b9
https://doi.org/10.1134/s1990793121030106
https://doi.org/10.1134/s1990793121030106
Autor:
Vadim M. Volokhov, Leonid V. Poluyanov
Publikováno v:
Russian Journal of Physical Chemistry B. 15:205-211
A two-electron model that describes the singlet-triplet interaction of the 1Σ+ and 3Π states in linear triatomic molecules is proposed in this study. The analysis is based on the consideration of the spin-orbital coupling in an electronic Hamiltoni
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9c84c28cae9f0f5656a2ce6899d9cfe6
https://doi.org/10.1134/s1990793121020111
https://doi.org/10.1134/s1990793121020111
Autor:
Leonid V. Poluyanov, Vadim M. Volokhov
Publikováno v:
Russian Journal of Physical Chemistry B. 14:565-570
The paper considers the relativistic Renner effect 4Π × π, which occurs in linear triatomic molecules containing heavy atoms. The vibronic matrix is calculated in the three-electron model. The electronic Hamiltonian is expanded in a Taylor series
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da0f0528ac60c93e84186b9492a8ca06
https://doi.org/10.1134/s1990793120040119
https://doi.org/10.1134/s1990793120040119
Autor:
Vadim M. Volokhov, Leonid V. Poluyanov
Publikováno v:
Russian Journal of Physical Chemistry B. 14:227-234
A two-electron model describing vibronic and spin-orbit couplings of 3Π and 3Σ+ electronic states in linear triatomic molecules is proposed. The analysis is based on the use of an ab initio Breit–Pauli form of the spin-orbit coupling operator. El
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0918f6bdcab7b173b30a4b6765814b6a
https://doi.org/10.1134/s1990793120020141
https://doi.org/10.1134/s1990793120020141
Publikováno v:
Chemical Physics Letters. 726:104-110
Relativistic multimode pseudo-Jahn-Teller effect 2 E ′ + 2 A 2 ″ × e ′ + a 2 ″ is considered for planar tetratomic molecules Y X 3 , which have the odd number of electrons and are characterized by the double symmetry group D 3 h ′ . Our an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06eb7e0f72da1992e3bad3bb111f2f53
https://doi.org/10.1016/j.cplett.2019.04.036
https://doi.org/10.1016/j.cplett.2019.04.036
Publikováno v:
Chemical Physics Letters. 706:625-632
We consider the relativistic multi-mode 3 E × ( t 2 + e ) Jahn-Teller effect for tetrahedral atomic complexes in a triplet electronic state. Our analysis is based on the symmetry properties of the electronic Hamiltonian and includes spin-orbit coupl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::343a34d5206031df258d5df298215c55
https://doi.org/10.1016/j.cplett.2018.07.010
https://doi.org/10.1016/j.cplett.2018.07.010
Publikováno v:
Molecular Physics. 116:1358-1363
We consider the relativistic multi-mode pseudo-Jahn-Teller effect (2Eu + 2A2u) × (big + b2g + eu) for square-planar molecular complexes with a heavy central atom and the odd number of electrons.All...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::05cd3ebb94706c130c341b13c615f7a2
https://doi.org/10.1080/00268976.2018.1429688
https://doi.org/10.1080/00268976.2018.1429688
Publikováno v:
Russian Journal of Physical Chemistry B. 12:1-9
A relativistic multimode Jahn−Teller effect for tetrahedral molecular complexes in a triplet electronic state is considered. The analysis is based on the symmetry properties of the electronic Hamiltonian and its generalized symmetry operators, acti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae433b37099cfd1fbe37914ef57677e0
https://doi.org/10.1134/s1990793118010104
https://doi.org/10.1134/s1990793118010104
Singlet-triplet interaction of the adiabatic terms X~1Σ+ and a~3Σ+ in the linear triatomic molecules
Autor:
Vadim M. Volokhov, Leonid V. Poluyanov
Publikováno v:
Chemical Physics Letters. 775:138620
The paper introduces the 4x4 vibronic matrix that describes singlet–triplet interaction of adiabatic terms 1Σ+ and 3Σ+ via deformation π-modes of the linear triatomic system. Our analysis takes into account spin-orbital coupling in ab initio Bre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d32bfffd94bcf3eec6c684f39addc26
https://doi.org/10.1016/j.cplett.2021.138620
https://doi.org/10.1016/j.cplett.2021.138620
Publikováno v:
The Journal of chemical physics. 151(13)
The Renner vibronic-coupling problem in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f15a74dc332aef8bcc31ede32e96257
https://pubmed.ncbi.nlm.nih.gov/31594344
https://pubmed.ncbi.nlm.nih.gov/31594344