Search results for "Ground state"
showing 10 items of 928 documents
Koherentu procesu lāzeru spektroskopijas pētījumi sārmu metālu atomos un molekulās
2014
Promocijas darbs veltīts Zēmana koherenču atomu un molekulu elektroniskajos pamatstāvokļos veidošanas un sabrukšanas teorētiskajai un eksperimentālajai izpētei ar nelineārās spektroskopijas metodēm. Pirmkārt, tiek ziņots polarizācijas modulācijas pētījums, ierosinot D1 pārejas ar Cs tvaikiem pildītā šūnā. Otrkārt, izstrādāta spektroskopijas metode magnētiskā lauka stipruma divdimensiju sadalījuma kartēšanai, izmantojot fluorescences sadalījuma reģistrēšanu. Treškārt, veikts nelineāro magneto-optisko rezonanšu pētījums K2 molekulas pamatstāvoklī ar lielām leņķiskā momenta kvantu skaitļa J~100 vērtībām. Lai uzlabotu diožu lāzera ilgtermiņa frekvences stabilitāti, izstrādāta frekvences divmodu…
Many-body Green's function theory for electron-phonon interactions: ground state properties of the Holstein dimer
2015
We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong whereas at smaller interactions only a single solution is found. The additional solutions at larger electron-phonon couplings correspond to symmetry-broken states with inhomogeneous electron de…
Balance equations-based properties of the Rabi Hamiltonian
2014
A stationary physical system satisfies peculiar balance conditions involving mean values of appropriate observables. In this paper we show how to deduce such quantitative links, named balance equations, demonstrating as well their usefulness in bringing to light physical properties of the system without solving the Schrodinger equation. The knowledge of such properties in the case of Rabi Hamiltonian is exploit to provide arguments to make easier the variational engineering of the ground state of this model.
Global analysis of the high resolution infrared spectrum of methane 12CH4 in the region from 0 to 4800 cm-1
2009
International audience; We report the global analysis of methane (12CH4) lines from high resolution rovibrational spectra including accurate line positions and intensities in the region 0–4800 cm−1. This covers four polyads: The Ground State Monad (rotational levels), the Dyad (940–1850 cm−1, 2 vibrational levels, 2 sublevels), the Pentad (2150–3350 cm−1, 5 vibrational levels, 9 sublevels) and the Octad (3550–4800 cm−1, 8 vibrational levels, 24 sublevels) and some of the associated hot bands (Pentad−Dyad and Octad−Dyad). New Fourier transform infrared (FTIR) spectra of the Pentad and Octad regions have been recorded with a very high resolution (better than 0.001 cm−1 instrumental bandwidth,…
Preliminary analysis of CH3D from 3250 to 3700 cm(-1)
2006
International audience; The infrared spectrum of CH3D from 3250 to 3700 cm(-1) was studied for the first time to assign transitions involving the nu(2) + nu(3), nu(2) + nu(5), nu(2) + nu(6), nu(3) + 2(nu 6) and 3 nu(6) vibrational states. Line positions and intensities were measured at 0.011 cm(-1) resolution using Fourier transform spectra recorded at Kitt Peak with isotopically enriched samples. Some 2852 line positions (involving over 900 upper state levels) and 874 line intensities were reproduced with RMS values of 0.0009 cm(-1) and 4.6%, respectively. The strongest bands were found to be nu(2) + nu(3) at 3499.7 cm(-1) and nu(2) + nu(6) at 3342.5 cm(-1) with integrated strengths, respe…
Dicyclopentaannelated Hexa-peri-hexabenzocoronenes with a Singlet Biradical Ground State
2021
Abstract Synthesis of two dicyclopentaannelated hexa‐peri‐hexabenzocoronene (PHBC) regioisomers was carried out, using nonplanar oligoaryl precursors with fluorenyl groups: mPHBC 8 with two pentagons in the “meta”‐configuration was obtained as a stable molecule, while its structural isomer with the “para”‐configuration, pPHBC 16, could be generated and characterized only in situ due to its high chemical reactivity. Both PHBCs exhibit low energy gaps, as reflected by UV‐vis‐NIR absorption and electrochemical measurements. They also show open‐shell singlet ground states according to electron paramagnetic resonance (EPR) measurements and density functional theory (DFT) calculations. The use of…
The Role of Orbital Symmetries in Enforcing Ferromagnetic Ground State in Mixed Radical Dimers
2018
One of the first steps in designing ferromagnetic (FM) molecular materials of p-block radicals is the suppression of covalent radical-radical interactions that stabilize a diamagnetic ground state. In this contribution, we demonstrate that FM coupling between p-block radicals can be achieved by constructing mixed dimers from different radicals with differing symmetries of their singly occupied molecular orbitals. The applicability of this approach is demonstrated by studying magnetic interactions in organic radical dimers built from different derivatives of the well-known phenalenyl radical. The calculated enthalpies of dimerization for different homo- and heterodimers show that the formati…
Magnetic quantum criticality in quasi-one-dimensional Heisenberg antiferromagnet Cu(C4H4N2)(NO3)2
2016
We analyze exciting recent measurements [Phys. Rev. Lett. 114 (2015) 037202] of the magnetization, differential susceptibility and specific heat on one dimensional Heisenberg antiferromagnet Cu(C4H4N2)(NO3)2 (CuPzN) subjected to strong magnetic fields. Using the mapping between magnons (bosons) in CuPzN and fermions, we demonstrate that magnetic field tunes the insulator towards quantum critical point related to so-called fermion condensation quantum phase transition (FCQPT) at which the resulting fermion effective mass diverges kinematically. We show that the FCQPT concept permits to reveal the scaling behavior of thermodynamic characteristics, describe the experimental results quantitativ…
Direct measurement of the mass difference of $^{72}$As-$^{72}$Ge rules out $^{72}$As as a promising $\beta$-decay candidate to determine the neutrino…
2021
We report the first direct determination of the ground-state to ground-state electron-capture $Q$-value for the $^{72}$As to $^{72}$Ge decay by measuring their atomic mass difference utilizing the double Penning trap mass spectrometer, JYFLTRAP. The $Q$-value was measured to be 4343.596(75)~keV, which is more than a 50-fold improvement in precision compared to the value in the most recent Atomic Mass Evaluation 2020. Furthermore, the new $Q$-value was found to be 12.4(40)~keV (3.1 $\sigma$) lower. With the significant reduction of the uncertainty of the ground-state to ground-state $Q$-value value combined with the level scheme of $^{72}$Ge from $\gamma$-ray spectroscopy, we confirm that th…
On a nonlinear Schrödinger equation for nucleons in one space dimension
2021
We study a 1D nonlinear Schrödinger equation appearing in the description of a particle inside an atomic nucleus. For various nonlinearities, the ground states are discussed and given in explicit form. Their stability is studied numerically via the time evolution of perturbed ground states. In the time evolution of general localized initial data, they are shown to appear in the long time behaviour of certain cases.