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Here is presented an original program based on molecular Schrodinger equations. It is dedicated to target specific states of infrared vibrational spectrum in a very precise way with a minimal usage of memory. An eigensolver combined with a…

Computational Physics · Physics 2018-07-26 Romain Garnier

The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…

Chemical Physics · Physics 2020-11-06 Debasish Koner , Raymond J. Bemish , Markus Meuwly

This is the second article in which we study the rotating Morse potential model for diatomic molecules using the tridiagonal J-matrix approach. Here, we improve further the accuracy of computing the bound states and resonance energies for…

Chemical Physics · Physics 2008-10-14 I. Nasser , M. S. Abdelmonem , H. Bahlouli , A. D. Alhaidari

\gamma-softness in atomic nuclei is investigated in the framework of energy density functionals. By mapping constrained microscopic energy surfaces for a set of representative non-axial medium-heavy and heavy nuclei to a Hamiltonian of the…

Nuclear Theory · Physics 2015-05-30 K. Nomura , N. Shimizu , D. Vretenar , T. Niksic , T. Otsuka

We demonstrate that in a triangular configuration of an optical lattice of two atomic species a variety of novel spin-1/2 Hamiltonians can be generated. They include effective three-spin interactions resulting from the possibility of atoms…

Quantum Physics · Physics 2009-11-10 Jiannis K. Pachos , Martin B. Plenio

From a viewpoint of oblate-prolate symmetry and its breaking, we adopt the quadrupole collective Hamiltonian to study dynamics of triaxial deformation in shape coexistence phenomena. It accommodates the axially symmetric rotor model, the…

The rovibrational level populations, and subsequent emission in various astrophysical environments, is driven by inelastic collision processes. The available rovibrational rate coefficients for water have been calculated using a number of…

Astrophysics of Galaxies · Physics 2024-11-14 Benhui Yang , Chen Qu , J. M. Bowman , Dongzheng Yang , Hua Guo , N. Balakrishnan , R. C. Forrey , P. C. Stancil

Rydberg excited states of molecules pose a challenge for electronic structure calculations because of their highly diffuse electron distribution. Even large and elaborate atomic basis sets tend to underrepresent the long-range tail, overly…

Within the framework of quantization of the macroscopic electromagnetic field, equations of motion and an effective Hamiltonian for treating both the resonant dipole-dipole interaction between two-level atoms and the resonant atom-field…

Quantum Physics · Physics 2016-08-16 Ho Trung Dung , Ludwig Knöll , Dirk-Gunnar Welsch

A theoretical study of the rotational dynamics of a linear polar molecule in a two-color non-resonant cw laser field is presented. By systematically considering the interactions of this field with the electric dipole moment, polarizability…

Quantum Physics · Physics 2020-08-26 David Mellado-Alcedo , Niurka R. Quintero , Rosario González-Férez

We consider the interaction of electromagnetic radiation of arbitrary polarization with multi-level atoms in a self-consistent manner, taking into account both spatial and temporal dependencies of local fields. This is done by numerically…

Mesoscale and Nanoscale Physics · Physics 2015-03-19 Maxim Sukharev , Abraham Nitzan

High harmonic generation in the interaction of femtosecond lasers with atoms and molecules opens the path to molecular orbital tomography and to probe the electronic dynamics with attosecond-{\AA}ngstr\"{o}m resolutions. Molecular orbital…

The elastic neutron-${}^3\mathrm{H}$ scattering at intermediate energies is studied using rigorous integral equations solved in the momentum-space partial-wave basis. The four-particle transition operators are expanded into…

Nuclear Theory · Physics 2025-02-24 A. Deltuva

We discuss the approximate inclusion of three-nucleon interactions into ab initio nuclear structure calculations using a multi-reference formulation of normal ordering and Wick's theorem. Following the successful application of…

Nuclear Theory · Physics 2017-04-20 Eskendr Gebrerufael , Angelo Calci , Robert Roth

Resonant vibrational and rotation-vibration excitation cross sections for electron-CO scattering are calculated in the 0-10 eV energy range for all 81 vibrational states of CO, assuming that the excitation occur via the 2{\Pi} shape…

Chemical Physics · Physics 2012-08-14 V. Laporta , C. M. Cassidy , J. Tennyson , R. Celiberto

The critical nuclear charge Zc required for a heliumlike atom to have at least one bound state was recently determined with high accuracy from variational calculations. Analysis of the wave functions further suggested that the bound state…

Atomic Physics · Physics 2015-10-14 Jean-Philippe Karr

We perform an analytical study of the bifurcation of the halo orbits around the collinear points $L_1$, $L_2$, $L_3$ for the circular, spatial, restricted three--body problem. Following a standard procedure, we reduce to the center manifold…

Mathematical Physics · Physics 2016-01-20 Marta Ceccaroni , Alessandra Celletti , Giuseppe Pucacco

Accurate predictions for hydrogen molecular levels require the treatment of electrons and nuclei on an equal footing. While nonrelativistic theory has been effectively formulated this way, calculation of relativistic and quantum…

Chemical Physics · Physics 2024-01-24 Krzysztof Pachucki , Jacek Komasa

In this paper, we have applied a three-dimensional approach for calculation of the relativistic nucleon-nucleon potential. The quadratic operator relation between the non-relativistic and the relativistic nucleon-nucleon interactions is…

Nuclear Theory · Physics 2017-02-07 M. R. Hadizadeh , M. Radin

Ultralong-range Rydberg molecules provide an exciting testbed for molecular physics at exaggerated scales. In the so-called trilobite and butterfly Rydberg molecules, the Born-Oppenheimer approximation can fail due to strong non-adiabatic…

Atomic Physics · Physics 2023-02-23 Frederic Hummel , Peter Schmelcher , Matthew T. Eiles