相关论文: Theory of vibrational Stark effect for adsorbates …
Chemisorbed molecules at a fuel cell electrode are a very sensitive probe of the surrounding electrochemical environment, and one that can be accurately monitored with different spectroscopic techniques. We develop a comprehensive…
We have studied the Stark effect in the soft x-ray region for various small molecules by calculating the field-dependent x-ray absorption spectra. This effect is explained in terms of the response of molecular orbitals (core and valence),…
The electromagnetic field in an optical cavity can dramatically modify and even control chemical reactivity via vibrational strong coupling (VSC). Since the typical vibration and cavity frequencies are considerably higher than thermal…
The effect of an external applied electric field on the electronic ground state energy of a quantum box with a geometry defined by a wedge is studied by carrying out a variational calculation. This geometry could be used as an approximation…
As quantum computing approaches its first commercial implementations, quantum simulation emerges as a potentially ground-breaking technology for several domains, including Biology and Chemistry. However, taking advantage of quantum…
Einstein, De Broglie and others hoped that the schism between classical and quantum physics might one day be overcome by a theory taking into account the essential nonlinearity of elementary physical processes. However, neither their…
An analytic approach to the electron transport phenomena in molecular devices is presented. Analyzed devices are composed of organic molecules attached to the two semi-infinite electrodes. Molecular system is described within the…
Simulating electrochemical interfaces using density functional theory (DFT) requires incorporating the effects of electrochemical potential. The electrochemical potential acts as a new degree of freedom that can effectively tune DFT results…
The motion of a conducting electron in a quantum dot with one or several dislocations in the underlying crystal lattice is considered in the continuum picture, where dislocations are represented by torsion of space. The possible effects of…
The spin-torsion theory is a gauge theory approach to gravity that expands upon Einstein's general relativity (GR) by incorporating the spin of microparticles. In this study, we further develop the spin-torsion theory to examine spherically…
A nonlocal relativistic variational principle (VP) has recently been proposed as an alternative to the Dirac wave equation of standard quantum mechanics. We apply that principle to the electron two-slit experiment. The detection system is…
The linear Stark effect for the first excited state of the hydrogen atom shows that, in the unperturbed states, the atom has a permanent electric dipole moment (EDM) of magnitude 3eao (ao is Bohr radius). The EDM is not induce by the…
It is demonstrated that non-equilibrium vibrational effects are enhanced in molecular devices for which the effective potential for vibrations is sensitive to the charge state of the device. We calculate the electron tunneling current…
The study of spontaneous supersymmetry breaking (SSB) on the lattice is obstructed by a severe sign problem. Quantum computing provides a promising alternative approach. In particular, properties of supersymmetry relate SSB to the…
The $k\cdot p$ effective mass approximation (EMA) predicts large, nearly size-independent exciton oscillator strengths in quantum confined semiconductors. Yet, experimental reports have concluded that the total oscillator strength of the…
Proposals for quantum computing using rotational states of polar molecules as qubits have previously considered only diatomic molecules. For these the Stark effect is second-order, so a sizable external electric field is required to produce…
Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigensolver (VQE) based perturbation theory algorithm to…
When trapped atoms are illuminated by weak lasers, off-resonant transitions cause shifts in the frequencies of the vibrational-sideband resonances. These frequency shifts may be understood in terms of Stark-shifts of the individual levels…
Quantum entanglement is a concept commonly used with reference to the existence of certain correlations in quantum systems that have no classical interpretation. It is a useful resource to enhance the mutual information of memory channels…
The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…