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Related papers: A variational model for the hyperfine resolved spe…

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Previously-determined empirical energy levels are used to construct a rovibronic model for the $\mathrm{X}\,^4\Sigma^-$, $\mathrm{A}'\,^4\Phi$, $\mathrm{A}\,^4\Pi$, $\mathrm{B}\,^4\Pi$, $\mathrm{C}\,^4\Sigma^-$, $\mathrm{D}\,^4\Delta$,…

Chemical Physics · Physics 2023-01-25 Qianwei Qu , Sergei N. Yurchenko , Jonathan Tennyson

An algorithm for the calculation of hyperfine structure and spectra of diatomic molecules based on the variational nuclear motion is presented. Hyperfine coupling terms considered are Fermi-contact, nuclear spin-electron spin dipole-dipole,…

Chemical Physics · Physics 2022-02-15 Qianwei Qu , Sergei N. Yurchenko , Jonathan Tennyson

The invariant form of the hyperfine interaction between multipolar moments and the nuclear spin is derived, and applied to discuss possibilities to identify the antiferro-octupolar (AFO) moments by NMR experiments. The ordered phase of…

Strongly Correlated Electrons · Physics 2009-11-10 Osamu Sakai , Ryousuke Shiina , Hiroyuki Shiba

We study an infinite-range coupled electronic-quadrupole and nuclear-spin model for ferro-quadrupolar and nuclear-spin ordering in TmVO$_4$ in external magnetic and strain fields. This material is an experimental realization of a…

Strongly Correlated Electrons · Physics 2026-03-24 Sayan Ghosh , Anirudha Menon , Manoranjan Kumar , Rajiv R. P. Singh

We present a new model for the study of spin-orbit coupling in interacting quasi-one-dimensional systems and solve it exactly to find the spectral properties of such systems. We show that the combination of spin-orbit coupling and…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 A. V. Moroz , K. V. Samokhin , C. H. W. Barnes

Optical responses in an excitonic insulating (EI) system with strong electron correlation are studied. We adopt the two-orbital Hubbard model with a finite energy difference between the two orbitals where the spin state degree of freedom…

Strongly Correlated Electrons · Physics 2020-03-25 Hengyue Li , Junya Otsuki , Makoto Naka , Sumio Ishihara

X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due…

We present a quantum solution to the electron spin decoherence by a nuclear pair-correlation method for the electron-nuclear spin dynamics under a strong magnetic field and a temperature high for the nuclear spins but low for the electron.…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Wang Yao , Ren-Bao Liu , L. J. Sham

The rovibronic structure of A$^2\Sigma^+$, B$^2\Pi$ and C$^2\Pi$ states of nitric oxide (NO)is studied with the aim of producing comprehensive line lists for its near ultraviolet spectrum. Empirical energy levels for the three electronic…

Chemical Physics · Physics 2021-08-24 Qianwei Qu , Bridgette Cooper , Sergei N. Yurchenko , Jonathan Tennyson

In the interaction of two electric quadrupoles, there is at short distances a contact term proportional to the second derivative of a delta function. This contact term contributes to the hyperfine splitting of bound states of two particles…

High Energy Physics - Phenomenology · Physics 2014-11-18 G. Karl , V. A. Novikov

The time-dependent Schrodinger equation of a many particle spin system consisting of an electron in a quantum dot interacting with the spins of the nuclei (N) in the dot due to hyperfine interaction is solved exactly for a given arbitrary…

Quantum Physics · Physics 2007-05-23 A. K. Rajagopal

A variational approach is developed for bound state calculations in three- and four-electron atomic systems. This approach can be applied to determine, in principle, an arbitrary bound state in three- and four-electron ions and atoms. Our…

Atomic Physics · Physics 2015-05-19 Alexei M Frolov , David M. Wardlaw

A translation invariant N-polaron system is investigated at arbitrary electron-phonon coupling strength, using a variational principle for path integrals for identical particles. An upper bound for the ground state energy is found as a…

Strongly Correlated Electrons · Physics 2007-05-23 F. Brosens , S. N. Klimin , J. T. Devreese

Sub-Doppler, saturation dip, spectra of lines in the $v_1 + v_3$, $v_1 + 2v_4$ and $v_3 + 2v_4$ bands of $^{14}$NH$_3$ have been measured by frequency comb-referenced diode laser absorption spectroscopy. The observed spectral line widths…

Chemical Physics · Physics 2016-11-03 Sylvestre Twagirayezu , Gregory E. Hall , Trevor J. Sears

The electronic structure of the ferromagnetic semiconductor EuO is investigated by means of spin- and angle-resolved photoemission spectroscopy (spin-ARPES) and density functional theory. EuO exhibits unique properties of hosting both…

We have performed a systematic calculation for the non-Markovian dynamics of a localized electron spin interacting with an environment of nuclear spins via the Fermi contact hyperfine interaction. This work applies to an electron in the s…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 W. A. Coish , Daniel Loss

We consider eigenmodes of a ring resonator made of a circular dielectric waveguide. Taking into account the polarization corrections, which are responsible for the interaction of polarization and orbital properties of electromagnetic waves…

Optics · Physics 2007-05-23 K. Yu. Bliokh , D. Yu. Frolov

Molecular spin qubits with long spin coherence time as well as non-invasive operation methods on such qubits are in high demand. It was shown that both molecular electronic and nuclear spin levels can be used as qubits. In solid state…

Materials Science · Physics 2020-10-28 Robert L. Smith , Aleksander L. Wysocki , Kyungwha Park

We present a unified variational treatment of the magnetic dipole matrix elements, Einstein coefficients and line strength for general open-shell diatomic molecules in the general purpose diatomic code Duo. Building on previous work in…

Atmospheric and Oceanic Physics · Physics 2025-04-08 Wilfrid Somogyi , Sergey N. Yurchenko , Gap-Sue Kim

The study of highly charged electronic and muonic hydrogen-like ions, provides an intriguing way to probe the internal structure of their atomic nuclei. In this work, we use nuclear structure calculations to accurately calculate the…

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