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Density functional theory of solvation in a polar solvent
Density functional theory of solvation in a polar solvent

New theoretical investigations of the photodissociation of ozone in
New theoretical investigations of the photodissociation of ozone in

... states. In addition, the non-adiabatic couplings between states of the same symmetry, SO matrix elements between the spin components, as well as TDMs with the ground electronic state can be determined as functions of all nuclear degrees of freedom with similar accuracy. This allows one to perform dy ...
Conversion of Spin into Directed Electric Current in Quantum Wells
Conversion of Spin into Directed Electric Current in Quantum Wells

... transitions. Because of energy and momentum conservation intraband transitions can occur only by absorption of a photon and simultaneous absorption or emission of a phonon. This process is described by virtual transitions involving intermediate states. Transitions via intermediate states within one ...
Quantum interference with molecules: The role of
Quantum interference with molecules: The role of

... Another possible source of decoherence is the coupling between the translational motion of the molecule and its internal states 关10兴. The vibrational and rotational states of the molecule can be thought of as a reservoir that the molecule carries with it. When the molecule passes through a region in ...
Unifying Model for Several Classes of Two-Dimensional Phase Transition Yonatan Dubi,
Unifying Model for Several Classes of Two-Dimensional Phase Transition Yonatan Dubi,

Dark Resonances From Optical Pumping to Cold Atoms and
Dark Resonances From Optical Pumping to Cold Atoms and

... the unperturbed energy of the state gi , without any light shift. The laser fields Ei acquire a phase factor exp (−i ωi t) due to their frequencies ωi . The total absorption amplitude thus becomes: c1 exp (−iE1 t/~) Ω1 exp (−iω1 t) + c2 exp (−iE2 t/~) Ω2 exp (−iω2 t) . ...
Particle emission from a hot, deformed, and rotating nucleus
Particle emission from a hot, deformed, and rotating nucleus

... where a, and ap are the "level density parameters" for the neutrons and protons (see f.i. ref. I-5]). Let us emphasize at this point that, apart from fulfilling the requirements of the Pauli principle, the TFA treats the dynamics classically. The true quantum-mechanical Wigner function is not a prob ...
APPENDIX B Fluorescent Dye Labels for Energy
APPENDIX B Fluorescent Dye Labels for Energy

... shows no disruption of the heme microenvironment. Steady-state equilibrium comparisons of DNS-cyt c and DNS-cb562 to the unlabeled proteins are discussed in greater detail in section 3.2.3. B.2.4 Steady-State Equilibrium Unfolded States of DNS-labeled Cyt c and Cyt cb562 Fluorescence energy transfer ...
Light emission despite doubly-forbidden radiative
Light emission despite doubly-forbidden radiative

... and GaP barriers were grown using gas-source molecularbeam epitaxy on unintentionally doped n-type GaP(001) substrates with n  8  1015 cm3 at 300 K.14 Low temperature (15 K) PL spectra were measured by nonresonantly exciting the samples with a 405 nm diode laser with the power incident on the sam ...
Molecules in Motion - Martin Quack
Molecules in Motion - Martin Quack

ATS MOLS - School of Chemistry
ATS MOLS - School of Chemistry

Electron–phonon interaction and electronic decoherence in
Electron–phonon interaction and electronic decoherence in

... of the details of the quantum tunneling process in modulating charge transport [3]. Hence, by pursuing an exploration of dynamical quantum phenomena at the molecular level one may also expect to be more prepared to discover Her hidden ways. A paradigmatic example of the above situation is the electr ...
Read PDF - Physics (APS)
Read PDF - Physics (APS)

Nonlinear optical selection rule based on valley-exciton locking in monolayer ws 2
Nonlinear optical selection rule based on valley-exciton locking in monolayer ws 2

... Optical selection rules fundamentally determine the optical transitions between energy states in a variety of physical systems, from hydrogen atoms to bulk crystals such as gallium arsenide. These rules are important for optoelectronic applications such as lasers, energy-dispersive X-ray spectroscop ...
Many Oscillators
Many Oscillators

A mean-field approach to attractive few
A mean-field approach to attractive few

PDF
PDF

... A quantum computer operates better in a low frequency transition because of lower decoherence. One wants as fast an operation as possible [3], so the Rabi frequency is not necessarily small [1,11,12] and may be comparable to the transition frequency . The flipping probability of the target qubit dep ...
Comparison of electromagnetically induced
Comparison of electromagnetically induced

... zero point; this behavior is due to transitions in the vicinity of the probe which are contributing to the background index of the area in question. The optical responses for V and ⌳ schemes are shown in Figs. 2共b兲 and 2共c兲, respectively. For the interacting case the coupling field has been tuned to ...
4 - Chemistry Biochemistry and Bio
4 - Chemistry Biochemistry and Bio

Electronic and atomic structure of liquid potassium via
Electronic and atomic structure of liquid potassium via

"Fundamentals of Rotation--Vibration Spectra" in
"Fundamentals of Rotation--Vibration Spectra" in

Elucidation of population and coherence dynamics using cross
Elucidation of population and coherence dynamics using cross

... In addition, to properly describe the third-order polarization, it is necessary to include contributions from the two-excitation states. To this end, we use the exciton commutation rule in Eq. (13) to expand all system operators in the ground and one-excitation subspace to the two-excitation manifol ...
Photodissociation of ozone in the Hartley band: Potential energy
Photodissociation of ozone in the Hartley band: Potential energy

2 - Durham Research Online
2 - Durham Research Online

... NMR, steady state and ultrafast transient absorption and ultrafast fluorescence spectroscopies to unravel the unusual characteristics of this class of chromophores. Computed (GIAO)B3LYP/6-31G* data for the zwitterions 1-3 using necessary solvation (PCM) models were shown to be in excellent agreement ...
Electric dipoles at ultralow temperatures
Electric dipoles at ultralow temperatures

... With these basics in mind, we can move on to molecules. We focus here on diatomic, heteronuclear molecules, although the principles are more general. We will consider only electric fields so small that the electrons cannot be polarized in the sense of the previous section; thus we consider only a sin ...
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Franck–Condon principle



The Franck–Condon principle is a rule in spectroscopy and quantum chemistry that explains the intensity of vibronic transitions. Vibronic transitions are the simultaneous changes in electronic and vibrational energy levels of a molecule due to the absorption or emission of a photon of the appropriate energy. The principle states that during an electronic transition, a change from one vibrational energy level to another will be more likely to happen if the two vibrational wave functions overlap more significantly.
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