Results 321 to 330 of about 469,777 (370)

Transition dipole moments and transition probabilities of the NS radical

Journal of Quantitative Spectroscopy and Radiative Transfer, 2019
Abstract In this work, spectroscopic parameters and transition properties are studied for the X 2Π, B 2Π, B′ 2Σ+, a 4Π, and b 4Σ− states of the NS radical. It is found that the rotationless radiative lifetimes of the vibrational levels are approximately several µs for the B 2Π state, in order of 10 µs for the B ′Σ+ state, and 10 to 100 µs for the b ...
Dan Zhou, Deheng Shi, Jinfeng Sun
openaire   +2 more sources

Analytic functions for potential energy curves, dipole moments, and transition dipole moments of LiRb molecule

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2016
The analytic potential energy functions (APEFs) of the X(1)Σ(+), 2(1)Σ(+), a(3)Σ(+), and 2(3)Σ(+) states of the LiRb molecule are obtained using Morse long-range potential energy function with damping function and nonlinear least-squares method. These calculations were based on the potential energy curves (PECs) calculated using the multi-reference ...
Yang You, Li-Zhi Wang, Mei-Shan Wang, Wen-Wang Liu, Chuan-Lu Yang, Xiao-Guang Ma   +5 more
openaire   +3 more sources

Allowed transitions and the dipole moment of HD+

Chemical Physics Letters, 1974
Abstract Within the Born-Oppenheimer approximation homopolar isotopically unsymmetric diatomic ions (HD+, 14N15N+, 35Cl37Cl+, etc.) have D∞h symmetry and a non-vanishing dipole moment. This apparent paradox is reconciled here by treating carefully the transformation properties of the dipole moment operator in the D∞h group.
openaire   +2 more sources

Electronic transition dipole moment and radiative lifetime calculations of sodium dimer ion-pair states.

Journal of Chemical Physics, 2015
We report here ab initio calculated electronic transition dipole moments for the sodium dimer ion pair states of (1)Σg (+) symmetry. They vary strongly as a function of internuclear distance because of the effect of the Na(+) + Na(-) ion pair potential ...
Aydin Sanli, B. Beser, J. Edwardson, S. Magnier, E. Ahmed, A. Marjatta Lyyra   +5 more
semanticscholar   +1 more source

Quantum yield in blue-emitting anthracene derivatives: vibronic coupling density and transition dipole moment density.

Physical Chemistry, Chemical Physics - PCCP, 2014
A theoretical design principle for enhancement of the quantum yield of light-emitting molecules is desired. For the establishment of the principle, we focused on the S1 states of blue-emitting anthracene derivatives: 2-methyl-9,10-di(2'-naphthyl ...
Motoyuki Uejima, Tohru Sato, D. Yokoyama, Kazuyoshi Tanaka, Jongwook Park   +4 more
semanticscholar   +1 more source

Permanent and transition dipole moments in CaF and CaCl

The Journal of Chemical Physics, 2001
Permanent and transition dipole moments have been calculated for various states of CaF and CaCl by using an effective one-electron variational eigenchannel R-matrix approach combined with generalized quantum defect theory. The ion core dipole moment has been evaluated ab initio.
S. Raouafi, Gwang-Hi Jeung, Ch. Jungen
openaire   +2 more sources

Transition dipole moments and probabilities of the CCl radicals

Journal of Quantitative Spectroscopy and Radiative Transfer, 2019
Abstract This work studies the transition dipole moments and properties of 12 electronic states. These states are X2Π, A2Δ, B2Σ+, C2Π, 12Σ−, 22Σ−, a4Σ−, b4Π, 14Σ+, 14Δ, 24Π, and 24Σ−; they originate from the first dissociation limit of the carbon monochloride radical.
Deheng Shi, Jinfeng Sun, Yuan Yin
openaire   +2 more sources

Solvatofluorochromic flavonoid dyes with enlarged transition dipole moments enable the ratiometric detection of methanol in commercial biodiesel with improved sensitivities

, 2020
Enlarged transition dipole moment of the solvatofluorochromic probe could improve the detection sensitivity to methanol in biodiesel.
Tianyi Qin, B. Liu, Bing Du, Yingying Huang, Guangkai Yao, Zhiqing Xun, Hanhong Xu, Chen Zhao   +7 more
semanticscholar   +1 more source

Multiphoton transitions in molecules with permanent dipole moments

Chemical Physics Letters, 1989
Abstract We use a nonperturbative treatment to study multiphoton transitions in molecules with permanent dipole moments. This generalizes the perturbative treatment of Scharf and Band (Chem. Phys. Letters 144 (1988) 165) for two-photon transitions in molecules with permanent dipole moments in the presence of electromagnetic fields of two frequencies,
Raanan Bavli, Donald F. Heller, Yehuda B. Band   +2 more
openaire   +2 more sources

Potential energy and transition dipole moment functions of

Molecular Physics, 2006
The potential energy curves of in its and states are constructed by morphing the appropriate icMRCI ab initio curves within the framework of the Reduced Potential Curve (RPC) approach of Jen[cbreve] and Pliva. The actual morphing is performed by fitting the RPC parameters to available experimental data.
V. pirko, T. edivcová
openaire   +2 more sources