Related papers: Ammonia Inversion Energy Levels using Operator Alg…
There is widespread interest in calculating the energy spectrum of a Hamiltonian, for example to analyze optical spectra and energy deposition by ions in materials. In this study, we propose a quantum algorithm that samples the set of…
Sensitivity to temporal variation of the fundamental constants may be strongly enhanced in transitions between narrow close levels of different nature. This enhancement may be realized in a large number of molecules due to cancelation…
Complete dissociation dynamics of low energy electron attachment to ammonia molecule has been studied using velocity slice imaging (VSI) spectrometer. One low energy resonant peak around 5.5 eV and a broad resonance around 10.5 eV incident…
We estimate sensitivity coefficients to variation of the fine-structure constant alpha and electron-to-proton mass ratio mu for microwave Lambda-type transitions in CH molecule and for inversion-rotational transitions in partly deuterated…
Microwave and submillimeter molecular transition frequencies between nearly degenerated rotational levels, tunneling transitions, and mixed tunneling-rotational transitions show an extremely high sensitivity to the values of the…
We calculate the exceptional points of the eigenvalues of several parameter-dependent Hamiltonian operators of mathematical and physical interest. We show that the calculation is greatly facilitated by the application of the discriminant to…
The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the…
Hamiltonian Truncation (a.k.a. Truncated Spectrum Approach) is an efficient numerical technique to solve strongly coupled QFTs in d=2 spacetime dimensions. Further theoretical developments are needed to increase its accuracy and the range…
Quantum-mechanical analysis based on an exact sum rule is used to extract an semiclassical angle-dependent energy function for transition metal ions in biomolecules. The angular dependence is simple but different from existing classical…
The lattice parameters, lattice stability and phonon dispersion curves of five proposed phases of Ti: alpha, beta, gamma, delta and omega are investigated within DFT. It is found that the sequence of high pressure phases at zero temperature…
We develop and analyze a fault-tolerant quantum algorithm for computing $n$-th order response properties necessary for analysis of non-linear spectroscopies of molecular and condensed phase systems. We use a semi-classical description in…
For quantum mechanics of a charged particle in a classical external electromagnetic field, there is an apparent puzzle that the matrix element of the canonical momentum and Hamiltonian operators is gauge dependent. A resolution to this…
A model operator approach to calculations of the QED corrections to energy levels in relativistic many-electron atomic systems is developed. The model Lamb shift operator is represented by a sum of local and nonlocal potentials which are…
The relation between the spectral decomposition of a self-adjoint operator which is realizable as a higher order recurrence operator and matrix-valued orthogonal polynomials is investigated. A general construction of such operators from…
The chiral Abelian Higgs model is studied at finite temperature. By integrating out the heavy modes, we make a three-dimensional effective theory for the static modes. It is demonstrated that the plasma masses are correctly reproduced to…
The efficiency of an atomic interferometer in proximity of a surface is discussed. We first study which is the best choice of frequency for a pulse acting on internal atomic transitions in the same well. Then considering the modification of…
Implementing general functions of operators is a powerful tool in quantum computation. It can be used as the basis for a variety of quantum algorithms including matrix inversion, real and imaginary-time evolution, and matrix powers. Quantum…
A theoretical study is reported of the molecular-to-atomic transition in solid hydrogen at high pressure. We use the diffusion quantum Monte Carlo method to calculate the static lattice energies of the competing phases and a…
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schr\"odinger equation is mapped onto a…
We find theoretical results on energy eigenvalues and corresponding supersymmetric Hamiltonians reflect contradictory behavior for negative values of A. furthermore the resulting supersymmetric partners potentials can be model scattering…