English
Related papers

Related papers: Predicted Land\'e $g$-factors for open shell diato…

200 papers

The fully self-consistent $GW$ (sc$GW$) method with the iterative solution of Dyson equation provides a consistent approach for describing the ground and excited states without any dependence on the mean-field reference. In this work, we…

Chemical Physics · Physics 2024-01-23 Vibin Abraham , Gaurav Harsha , Dominika Zgid

We embark on a quest to identify small molecules in the chemical space that can potentially violate Hund's rule. Utilizing twelve TDDFT approximations and the ADC(2) many-body method, we report the energies of S$_1$ and T$_1$ excited states…

Chemical Physics · Physics 2024-05-24 Atreyee Majumdar , Raghunathan Ramakrishnan

We develop a new method to describe electromagnetic observables of open-shell nuclei with two nucleons outside a closed shell. This approach combines the equation-of-motion coupled-cluster method for such systems and the Lorentz integral…

Nuclear Theory · Physics 2024-10-14 Francesca Bonaiti , Sonia Bacca , Gaute Hagen , Gustav R. Jansen

In this study, we develop and implement a specialized coupled-cluster (CC) approach tailored for accurately describing atoms and molecules in strong magnetic fields. Using the open-source Ghent Quantum Chemistry Package (\texttt{GQCP}) in…

Atomic Physics · Physics 2025-07-14 T. Zalialiutdinov , D. Solovyev

Approximate analytical bound state solutions of the radial Schr\"odinger equation are studied for a two-term diatomic molecular potential in terms of the hypergeometric functions for the cases where $q\geq1$ and $q=0$. The energy…

Mathematical Physics · Physics 2012-07-10 Altug Arda , Ramazan Sever

With the advent of high-precision frequency combs that can bridge large frequency intervals, new possibilities have opened up for the laser spectroscopy of atomic transitions. Here, we show that laser spectroscopic techniques can also be…

Atomic Physics · Physics 2009-11-13 W. Quint , B. Nikoobakht , U. D. Jentschura

We discussed exact solutions of the Schroedinger equation for a two-dimensional parabolic confinement potential in a homogeneous external magnetic field. It turns out that the two-electron system is exactly solvable in the sense, that the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Manfred Taut , Helmut Eschrig

The first-excited state $g$~factor of $^{26}$Mg has been measured relative to the $g$ factor of the $^{24}$Mg($2^+_1$) state using the high-velocity transient-field technique, giving $g=+0.86\pm0.10$. This new measurement is in strong…

The molecular Schr\"odinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ensemble of generally defined electronic (or nuclear)…

Mesoscale and Nanoscale Physics · Physics 2016-02-18 Guillermo Albareda , Heiko Appel , Ignacio Franco , Ali Abedi , Angel Rubio

The effective g-factor ($g^{*}$) of a dilute interacting two-dimensional electron system is expected to increase with respect to its bare value as the density is lowered, and to eventually diverge as the system makes a transition to a…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 E. Tutuc , S. Melinte , M. Shayegan

We present a new method that accurately approximates the shell-model ground-state by products of suitable states. The optimal factors are determined by a variational principle and result from the solution of rather low-dimensional…

Nuclear Theory · Physics 2007-05-23 T. Papenbrock , D. J. Dean

Based on a simplest molecular orbital theory of H$_{2}^{+}$, a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly…

Chemical Physics · Physics 2009-11-11 Rui-Hua Xie , Jiangbin Gong

A theoretical scheme for the analysis of experimental data on IR spectroscopy for a quantum particle in a double well potential (DWP) is suggested. The analysis is based on the trigonometric DWP for which the exact analytic solution of the…

Chemical Physics · Physics 2019-06-06 A. E. Sitnitsky

By employing the Pekeris approximation, the D-dimensional Schr\"odinger equation is solved for the nuclear deformed Woods-Saxon potential plus double ring-shaped potential within the framework of the Asymptotic Iteration Method (AIM). The…

Nuclear Theory · Physics 2016-05-30 M. Chabab , A. El Batoul , M. Oulne

The ground state energy of a system of electrons and nuclei is proven to be a variational functional of the conditional electronic density $n_R(\mathbf{r})$, the nuclear wavefunction $\chi(R)$ and an induced vector potential $A_{\mu}(R)$…

Chemical Physics · Physics 2016-11-08 Ryan Requist , E. K. U. Gross

We report the general implementation of the relativistic equation-of-motion coupled-cluster method to calculate double ionization spectra (DI-EOMCC) of atomic and molecular systems. As a first application, this method is employed to…

Atomic Physics · Physics 2014-08-25 Himadri Pathak , Aryya Ghosh , B. K. Sahoo , B. P. Das , Nayana Vaval , Sourav Pal

Recent improvements in experimental techniques for preparing ultracold molecules that contain alkali atoms (e.g., Li, Na, and K) have been reported. Based on these advances in ultracold molecules, new searches for the electric dipole moment…

Atomic Physics · Physics 2020-01-08 A. Sunaga , M. Abe , V. S. Prasannaa , T. Aoki , M. Hada

An infinite sequence of potential well functions is considered. A trial wavefunction is used with the Schr$\ddot{\text{o}}$dinger equation to obtain an approximate ground state energy for each potential well function. We obtain an…

Quantum Physics · Physics 2018-03-07 Rodney O. Weber

The drastically expanded use of the Woods-Saxon potential in modern day nuclear physics and the availability of new nuclear data motivated us to review and optimize the parameters of this potential to the experimental single-nucleon spectra…

Nuclear Theory · Physics 2007-09-25 N. Schwierz , I. Wiedenhover , A. Volya

The systematics of g factor of first excited 2^+ state vs neutron number N is studied by the projected shell model. The study covers the even-even nuclei of all isotopic chains from Gd to Pt. g factors are calculated by using the many-body…

Nuclear Theory · Physics 2009-11-11 Bao-An Bian , Yao-Min Di , Gui-Lu Long , Yang Sun , Jing-ye Zhang , Javid A. Sheikh