On the Jahn–Teller effect in the X∼2E electronic ground state of CH3F+
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2016.09.011
Abstract: Abstract In view of recent experimental and theoretical developments, we revisit our earlier theoretical studies (Mahapatra et al., 2004, 2005) on the Jahn–Teller effect in the degenerate X ∼ 2 E electronic ground state of… read more here.
Keywords: state; electronic ground; teller effect; state ch3f ... See more keywords
Relativistic Jahn-Teller effect in triplet electronic states of tetrahedral molecules
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.07.010
Abstract: Abstract 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… read more here.
Keywords: jahn teller; teller effect; triplet electronic;
The Renner-Teller effect revisited 40 years later
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Spectroscopy"
DOI: 10.1016/j.jms.2019.07.003
Abstract: Abstract Effects of electronic orbital angular momentum in triatomic molecules are reviewed, known collectively under the name Renner-Teller effect. The focus is on the years between 1960 and 1980, when numerous examples of the Renner-Teller… read more here.
Keywords: renner teller; effect revisited; teller effect;
Geometrical and electronic structure of the molybdenum and tungsten halides MX3 and MX4 (M = Mo, W; X = F, Cl): Jahn-Teller effect and spin-orbit coupling
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2016.08.017
Abstract: Abstract The ground and lower-lying excited electronic states of MX3 and MX4 (M = Mo, W; X = F, Cl) molecules were systematically studied by the complete active space self-consistent field (CASSCF) and multiconfigurational quasi-degenerate second-order perturbation (XMCQDPT2) methods.… read more here.
Keywords: state; teller effect; jahn teller; spin ... See more keywords
Neglected Importance of Anharmonicity in Quantifying the Renner–Teller Effect
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c05494
Abstract: Linear molecules in degenerate electronic states are influenced by the Renner–Teller (RT) effect. Currently the formula to quantify this vibronic interaction only considers the harmonic term. However, such a harmonic formula cannot well describe molecules… read more here.
Keywords: renner teller; effect; teller effect; new formula ... See more keywords
Regulating Pseudo-Jahn-Teller Effect and Superstructure in Layered Cathode Materials for Reversible Alkali-Ion Intercalation.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c02875
Abstract: The Jahn-Teller effect (JTE) is one of the most important determinators of how much stress layered cathode materials undergo during charge and discharge; however, many reports have shown that traces of superstructure exist in pristine… read more here.
Keywords: jahn teller; layered cathode; teller effect; cathode materials ... See more keywords
Momentum representation in the relativistic Jahn–Teller effect Gg [3/2] × (t2g + eg)
Sign Up to like & getrecommendations! Published in 2019 at "Molecular Physics"
DOI: 10.1080/00268976.2019.1587532
Abstract: Relativistic multi-mode Jahn–Teller effect in cubic and octahedral molecular systems is studied in a momentum representation. In the case under consideration, the momentum representation is equivalent to the five-dimensional Fourier transform the use of which… read more here.
Keywords: jahn teller; teller effect; momentum representation; representation ... See more keywords
Zeeman interaction and Jahn-Teller effect in the Γ8 multiplet
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.96.064416
Abstract: We present a thorough analysis of the interplay of magnetic moment and the Jahn-Teller effect in the $\Gamma_8$ cubic multiplet. We find that in the presence of dynamical Jahn-Teller effect, the Zeeman interaction remains isotropic,… read more here.
Keywords: zeeman interaction; jahn teller; teller effect; jahn ... See more keywords