Related papers: Spectroscopic study of some diatomic molecules via…
The radial time-independent Schr\"odinger equation is solved for the diatomic molecules: H2, LiH, HCl, CO, VH, CrH, CuLi, TiC, NiC, and ScN using the recently developed Nikiforov-Uvarov Functional Analysis (NUFA) method. A modified Morse…
We present a machine-learning approach toward predicting spectroscopic constants based on atomic properties. After collecting spectroscopic information on diatomics and generating an extensive database, we employ Gaussian process regression…
While calculations and measurements of single-particle spectral properties often offer the most direct route to study correlated electron systems, the underlying physics may remain quite elusive, if information at higher particle levels is…
In molecular reactions at the microscopic level the appearance of resonances has an important influence on the reactivity. It is important to predict when a bound state transitions into a resonance and how these transitions depend on…
We present a new computational method for the determination of energy levels in four-particle systems like H$_2$, HD, and HeH$^+$ using explicitly correlated exponential basis functions and analytic integration formulas. In solving the…
Ultra-fast and multi-dimensional spectroscopy gives a powerful looking glass into the dynamics of molecular systems. In particular two-dimensional electronic spectroscopy (2DES) provides a probe of coherence and the flow of energy within…
Processes that break molecular bonds are typically observed with molecules occupying a mixture of quantum states and successfully described with quasiclassical models, while a few studies have explored the distinctly quantum mechanical…
We present a spectroscopy scheme for the lattice field theory by using the tensor renormalization group method combining with the transfer matrix formalism. By using the scheme, we cannot only compute the energy spectrum for the lattice…
Statistical mechanics is founded on the assumption that a system can reach thermal equilibrium, regardless of the starting state. Interactions between particles facilitate thermalization, but, can interacting systems always equilibrate…
In this work, we used a tool of conventional Nikiforov-Uvarov method to determine bound state solution of Schrodinger equation with quantum interaction potential called Hulthen-Yukawa inversely quadratic potential (HYIQP). We obtained the…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
We use the Breit Pauli $R$-matrix method to calculate accurate energies and radiative data for states in C I up to $n$=30 and with $l\le 3$. We provide the full dataset of decays to the five 2s$^2$2p$^2$ ground configuration states…
We demonstrate a novel single molecule technique that is compatible with high precision measurements and obtain the spectrum of two molecular ion species. While the current result yields modest spectral resolution due to a broad light…
We derive a universal model for atom pairs interacting with non-resonant light via the polarizability anisotropy, based on the long range properties of the scattering. The corresponding dynamics can be obtained using a nodal line technique…
The shell correction method is revisited. Contrary to the traditional Strutinsky method, the shell energy is evaluated by an averaging over the number of particles and not over the single-particle energies, which is more consistent with the…
Non-radiative energy transfer between a Rydberg atom and a polar molecule can be controlled by a DC electric field. Here we show how to exploit this control for state-resolved, non-destructive detection and spectroscopy of the molecules…
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…
Multi-dimensional direct numerical simulation (DNS) of the Schr\"odinger equation is needed for design and analysis of quantum nanostructures that offer numerous applications in biology, medicine, materials, electronic/photonic devices,…
In order to rigorously evaluate the energy and dipole moment of a certain configuration of molecules one needs to solve the Schr\"odinger equation. Repeating this for many different configurations allows one to determine the potential…
We obtain the spectrum of bound states for a modified P\"oschl-Teller and square potential wells in the nonlinear Schr\"odinger equation. For a fixed norm of bound states, the spectrum for both potentials turns out to consist of a finite…