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Deep learning based methods have been widely applied to predict various kinds of molecular properties in the pharmaceutical industry with increasingly more success. Solvation free energy is an important index in the field of organic…
A set of moderately deformed $s-d$ shell nuclei is employed for testing the reliability of the nuclear ground state wave functions which are obtained in the context of a BCS approach and offer a simultaneous consideration of deformation and…
The theory of the g factor of an electron bound to a deformed nucleus is considered non-perturbatively and results are presented for a wide range of nuclei with charge numbers from Z=16 up to Z=98. We calculate the nuclear deformation…
We study $N$ interacting massless Dirac fermions confined in a two-dimensional quantum dot. Physical realizations of this problem include a graphene monolayer and the surface state of a strong topological insulator. We consider both a…
Calculating the ground state energy of a molecule efficiently is of great interest in quantum chemistry. The exact numerical solution of the electronic Schrodinger equation remains unfeasible for most molecules requiring approximate methods…
We present modified $\ell$-states of diatomic molecules by solving the radial and angle-dependent parts of the Schr\"odinger equation for central potentials, such as Morse and Kratzer, plus an exactly solvable angle-dependent potential…
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…
The astrophysical S-factor for proton-proton weak capture is calculated in chiral effective field theory over the center-of-mass relative-energy range 0--100 keV. The chiral two-nucleon potential derived up to next-to-next-to-next-to…
We perform precision microwave spectroscopy--aided by Stark deceleration--to reveal the low magnetic field behavior of OH in its ^2\Pi_{3/2} ro-vibronic ground state, identifying two field-insensitive hyperfine transitions suitable as…
Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (eEDM), in order to explore physics beyond the Standard Model, requires a synergy…
By modeling a linear polarizable and magnetizable medium (magneto-dielectric) with two quantum fields, namely E and M, electromagnetic field is quantized in such a medium consistently and systematically. A Hamiltonian is proposed from…
We have considered the possibility to describe the astrophysical S-factors of some light atomic nuclei on the basis of the potential cluster model by taking into account the supermultiplet symmetry of wave functions and splitting the…
We have measured the effective mass, m, and Lande g-factor in very dilute two-dimensional electron systems in silicon. Two independent methods have been used: (i) measurements of the magnetic field required to fully polarize the electrons'…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)$_{\overline{\text{F12}}}$) for high-spin states of open-shell species. The approach is…
In the present work considering the contributions of the daughter nuclear charge and the orbital angular momentum taken away by the emitted proton, we propose a two-parameter formula of new Geiger-Nuttall law for proton radioactivity. A set…
The stereochemical properties of the ultracold ground state OH molecule in the presence of electric and magnetic fields are currently of considerable interest. For example, relevant quantities such as molecular alignment and orientation,…
We present a construction of a mean-field theory for thermodynamic and spectral properties of correlated electrons reliable in the strong-coupling limit. We introduce an effective interaction determined self-consistently from the reduced…
We introduce a general approach for the simulation of quantum vibrational states of (symmetric and asymmetric) double-well potentials in molecules and materials for thermodynamic and spectroscopic applications. The method involves solving…
The general formulation of a technically advantageous method to find the ground state solution of the Schrodinger equation in configuration space for systems with a number of particles A greater than 4 is presented. The wave function is…