Germanium (Ge), donor excited state binding energies

2005 ◽  
pp. 1-2
Author(s):  
Keyword(s):  
Excited State ◽  
Binding Energies

First-excited-state energy of hydrogenic impurity bound polaron in an anisotropic quantum dot in an electric field

2019 ◽  
Vol 33 (32) ◽  
pp. 1950386
Author(s):  
Shi-Hua Chen
Keyword(s):  
Excited State ◽  
Binding Energy ◽  
Quantum Dot ◽  
Electric Field ◽  
Binding Energies ◽  
Hydrogenic Impurity ◽  
Bound Polaron ◽  
First Excited State ◽  
Trial Wavefunction ◽  
Anisotropic Quantum Dot

The first-excited-state (ES) binding energy of hydrogenic impurity bound polaron in an anisotropic quantum dot (QD) is obtained by constructing a variational wavefunction under the action of a uniform external electric field. As for a comparison, the ground-state (GS) binding energy of the system is also included. We apply numerical calculations to KBr QD with stronger electron–phonon (E–P) interaction in which the new variational wavefunction is adopted. We analyzed specifically the effects of electric field and the effects of both the position of the impurity and confinement lengths in the xy-plane and the [Formula: see text] direction on the ground and the first-ES binding energies (BEs). The results show that the selected trial wavefunction in the ES is appropriate and effective for the current research system.

scholarly journals Electronic structure and excited state dynamics in a dicyanovinyl-substituted oligothiophene on Au(111)

2015 ◽  
Vol 17 (40) ◽  
pp. 27118-27126 ◽  
Author(s):  
Lea Bogner ◽  
Zechao Yang ◽  
Martina Corso ◽  
Roland Fitzner ◽  
Peter Bäuerle ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Excited State ◽  
Experimental Methods ◽  
Binding Energies ◽  
Ionization Potentials ◽  
Excited State Dynamics

Using complementary experimental methods we determined the ionization potentials, affinity levels and exciton binding energies of dicyanovinyl-oligothiophene on Au(111).

INVESTIGATION OF THREE-ATOMIC CLUSTERS WITHIN FADDEEV EQUATIONS

2019 ◽  
pp. 3-6
Author(s):  
E.A. Kolganova ◽  
O.P. Klimenko ◽  
A.A. Korobitsin ◽  
D.V. Fursaev ◽  
V.A. Roudnev
Keyword(s):  
Excited State ◽  
State Energy ◽  
Atomic Clusters ◽  
Binding Energies ◽  
Faddeev Equations ◽  
Potential Models ◽  
Excited State Energy

The binding energies of 4He3 and 4He26Li three-atomic clusters were calculated within the differential Faddeev equations. Obtained results show that different methods provide similar results for different potential models. It is shown that the excited state energy of each system is close to it’s respective two-body threshold, which could indicate on the Efimov nature of the excited state of 4He26Li.

Relativistic Ground and Excited State Energies of a/1-Particle in Hypernuclei Using Woods-Saxon Potentials

1989 ◽  
Vol 44 (12) ◽  
pp. 1234-1238 ◽  
Author(s):  
C. G. Koutroulos
Keyword(s):  
Excited State ◽  
Dirac Equation ◽  
Excited States ◽  
Ground State ◽  
Scalar Potential ◽  
Binding Energies ◽  
Fitting Procedure ◽  
Fourth Component ◽  
Potential Parameters ◽  
Good Agreement

Abstract The relativistic Dirac equation with a scalar potential and the fourth component of a vector potential of the Woods-Saxon shape is solved numerically for potential parameters obtained by a last squares fitting procedure of the ground state binding energies of the Λ in a number of hypernuclei and its binding energies in the ground and excited states (as well as the relevant spacings) for various hypcrnuclei are determined. The results are in very good agreement with the preliminary experimental ones given by Chrien on the basis of the (π+, K+) reaction on nuclei.

scholarly journals Low-Lying Electronic States of the Nickel Dimer

2021 ◽  
Vol 9 ◽  
Author(s):  
Patrick K. Tamukong ◽  
Mark R. Hoffmann
Keyword(s):  
Excited State ◽  
Ground State ◽  
Electronic States ◽  
Binding Energies ◽  
Spectroscopic Constants ◽  
Equilibrium Geometry ◽  
Dissociation Limit ◽  
Full Potential ◽  
Theoretical Studies ◽  
Dissociation Channel

The generalized Van Vleck second order multireference perturbation theory (GVVPT2) method was used to investigate the low-lying electronic states of Ni2. Because the nickel atom has an excitation energy of only 0.025 eV to its first excited state (the least in the first row of transition elements), Ni2 has a particularly large number of low-lying states. Full potential energy curves (PECs) of more than a dozen low-lying electronic states of Ni2, resulting from the atomic combinations 3F4 + 3F4 and 3D3 + 3D3, were computed. In agreement with previous theoretical studies, we found the lowest lying states of Ni2 to correlate with the 3D3 + 3D3 dissociation limit, and the holes in the d-subshells were in the subspace of delta orbitals (i.e., the so-dubbed δδ-states). In particular, the ground state was determined as X 1Γg and had spectroscopic constants: bond length (Re) = 2.26 Å, harmonic frequency (ωe) = 276.0 cm−1, and binding energy (De) = 1.75 eV; whereas the 1 1Σg+ excited state (with spectroscopic constants: Re = 2.26 Å, ωe = 276.8 cm−1, and De = 1.75) of the 3D3 + 3D3 dissociation channel lay at only 16.4 cm−1 (0.002 eV) above the ground state at the equilibrium geometry. Inclusion of scalar relativistic effects through the spin-free exact two component (sf-X2C) method reduced the bond lengths of both of these two states to 2.20 Å, and increased their binding energies to 1.95 eV and harmonic frequencies to 296.0 cm−1 for X 1Γg and 297.0 cm−1 for 1 1Σg+. These values are in good agreement with experimental values of Re = 2.1545 ± 0.0004 Å, ωe = 280 ± 20 cm−1, and D0 = 2.042 ± 0.002 eV for the ground state. All states considered within the 3F4 + 3F4 dissociation channel proved to be energetically high-lying and van der Waals-like in nature. In contrast to most previous theoretical studies of Ni2, full PECs of all considered electronic states of the molecule were produced.

HALO IN THE EXCITED STATES FOR N = 41 ISOTONES

2006 ◽  
Vol 21 (36) ◽  
pp. 2751-2761
Author(s):  
MIAO YU ◽  
PENG-FEI ZHANG ◽  
TU-NAN RUAN ◽  
JIAN-YOU GUO
Keyword(s):  
Field Theory ◽  
Excited State ◽  
Excited States ◽  
Mean Field Theory ◽  
Mean Field ◽  
Binding Energies ◽  
Neutron Halo ◽  
Relativistic Mean Field Theory ◽  
Relativistic Mean Field ◽  
First Excited State

The properties of N = 41 isotones are investigated systemically by using the nonlinear relativistic mean field theory. It is found that all the calculating binding energies with four different interactions are comparable for the ground and low-lying excited states, and very close to the data available. The calculations show that there exists a neutron halo in the first excited state in 69 Ni , as well as in the second excited state in 69 Ni . It is also predicted that there exists a neutron halo in the first excited state in 65 Cr , 66 Mn , 67 Fe and 68 Co .

Relativistic excited state binding energies and RMS radii of Λ-hypernuclei

2018 ◽  
Vol 33 (04) ◽  
pp. 1850022 ◽  
Author(s):  
S. Mohammad Moosavi Nejad ◽  
A. Armat
Keyword(s):  
Excited State ◽  
Energy Levels ◽  
Relativistic Equation ◽  
Analytical Form ◽  
Binding Energies ◽  
Nucleon Interaction ◽  
Single Formula ◽  
First Time ◽  
Potential Parameters ◽  
Good Agreement

Using an analytical solution for the relativistic equation of single [Formula: see text]-hypernuclei in the presence of Woods–Saxon (WS) potential we present, for the first time, an analytical form for the excited state binding energies of 1p, 1d, 1f and 1g shells of a number of hypernuclei. Based on phenomenological analysis of the [Formula: see text] binding energies in a set of [Formula: see text]-hypernuclei, the WS potential parameters are obtained phenomenologically for the set of [Formula: see text]-hypernuclei. Systematic study of the energy levels of single [Formula: see text]-hypernuclei enables us to extract more detailed information about the [Formula: see text]-nucleon interaction. We also study the root mean square (RMS) radii of the [Formula: see text] orbits in the hypernuclear ground states. Our results are presented for several hypernuclei and it is shown that our results for the binding energies are in good agreement with experimental data.

Effective three- and four-body forces in the five nucleon system

1978 ◽  
Vol 56 (10) ◽  
pp. 1382-1385
Author(s):  
J. J. Bevelacqua
Keyword(s):  
Excited State ◽  
Ground State ◽  
Body Force ◽  
Binding Energies ◽  
Nucleon System ◽  
Body Interaction ◽  
Body Forces ◽  
Ground State Properties ◽  
First Excited State ◽  
Three Body

Effective three-body forces utilized in the A = 3 and 4 systems are extended to the mass five system. The approach predicts an overestimate of the binding energies for both 5Li and 5He. An effective four-body interaction, derived from A = 4 ground state properties, is used in conjunction with this three-body force, and predicts results in agreement with experiment. The position of the first excited state is calculated to lie at 7.2 MeV excitation for both 5Li and 5He.

scholarly journals Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method

2021 ◽  
Vol 22 (8) ◽  
pp. 4276
Author(s):  
Michael Filatov ◽  
Seunghoon Lee ◽  
Hiroya Nakata ◽  
Cheol-Ho Choi
Keyword(s):  
Excited State ◽  
Ground State ◽  
Density Functional ◽  
Binding Energies ◽  
Photoelectron Spectra ◽  
Time Resolved ◽  
Excited State Dynamics ◽  
Wide Range ◽  
Electron Binding Energies ◽  
Electron Binding

The non-adiabatic dynamics of furan excited in the ππ* state (S2 in the Franck–Condon geometry) was studied using non-adiabatic molecular dynamics simulations in connection with an ensemble density functional method. The time-resolved photoelectron spectra were theoretically simulated in a wide range of electron binding energies that covered the valence as well as the core electrons. The dynamics of the decay (rise) of the photoelectron signal were compared with the excited-state population dynamics. It was observed that the photoelectron signal decay parameters at certain electron binding energies displayed a good correlation with the events occurring during the excited-state dynamics. Thus, the time profile of the photoelectron intensity of the K-shell electrons of oxygen (decay constant of 34 ± 3 fs) showed a reasonable correlation with the time of passage through conical intersections with the ground state (47 ± 2 fs). The ground-state recovery constant of the photoelectron signal (121 ± 30 fs) was in good agreement with the theoretically obtained excited-state lifetime (93 ± 9 fs), as well as with the experimentally estimated recovery time constant (ca. 110 fs). Hence, it is proposed to complement the traditional TRPES observations with the trXPS (or trNEXAFS) measurements to obtain more reliable estimates of the most mechanistically important events during the excited-state dynamics.

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