Many-body calculations of the hyperfine interaction of some excited states of alkali atoms, using approximate Brueckner or natural orbitals

1976 ◽  
Vol 279 (2) ◽  
pp. 113-125 ◽  
Author(s):  
Ingvar Lindgren ◽  
Johannes Lindgren ◽  
Ann-Marie M�rtensson
Keyword(s):  
Hyperfine Interaction ◽  
Excited States ◽  
Many Body ◽  
Natural Orbitals ◽  
Alkali Atoms

Eine Approximation der Löwdinschen natürlichen Orbitale für Moleküle mit einer Green-Funktion-Methode

1972 ◽  
Vol 27 (4) ◽  
pp. 545-552 ◽  
Author(s):  
R. Albat
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Mass Operator ◽  
Ground States ◽  
Present Form ◽  
Many Body ◽  
Natural Orbitals ◽  
First Order ◽  
The Many ◽  
Closed Shells

Abstract An Approximation of Löwdin's Natural Orbitals for Molecules with a Green's Function Method The many-body-pertubation theorie of the single-particle Green's function is used to get an approximate first-order density matrix. Slightly modified SCF-orbitals form the basis for the expansion. The mass-operator in Dyson's equation is considered up to second order in the Perturbation. In the present form the method is only applicable to ground states with closed shells. The ground states of the molecules LiH and NH3 serve as examples to demonstrate the usefulness of the directly calculated natural orbitals for application in the C I-method. The natural orbitals give a much better convergence of the C I-expansion than the SCF-orbitals do.

scholarly journals Erratum: Diabatic-ramping spectroscopy of many-body excited states [Phys. Rev. A 90 , 062334 (2014)]

2017 ◽  
Vol 96 (3) ◽  
Author(s):  
Bryce Yoshimura ◽  
W. C. Campbell ◽  
J. K. Freericks
Keyword(s):  
Excited States ◽  
Many Body

scholarly journals Exciton-polaron Rydberg states in monolayer MoSe2 and WSe2

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Erfu Liu ◽  
Jeremiah van Baren ◽  
Zhengguang Lu ◽  
Takashi Taniguchi ◽  
Kenji Watanabe ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Excited States ◽  
Ground State ◽  
Transition Metal Dichalcogenides ◽  
Rydberg States ◽  
Energy Shift ◽  
Many Body ◽  
Electron Hole ◽  
Metal Dichalcogenides ◽  
Excitonic States

AbstractExciton polaron is a hypothetical many-body quasiparticle that involves an exciton dressed with a polarized electron-hole cloud in the Fermi sea. It has been evoked to explain the excitonic spectra of charged monolayer transition metal dichalcogenides, but the studies were limited to the ground state. Here we measure the reflection and photoluminescence of monolayer MoSe2 and WSe2 gating devices encapsulated by boron nitride. We observe gate-tunable exciton polarons associated with the 1 s–3 s exciton Rydberg states. The ground and excited exciton polarons exhibit comparable energy redshift (15~30 meV) from their respective bare excitons. The robust excited states contradict the trion picture because the trions are expected to dissociate in the excited states. When the Fermi sea expands, we observe increasingly severe suppression and steep energy shift from low to high exciton-polaron Rydberg states. Their gate-dependent energy shifts go beyond the trion description but match our exciton-polaron theory. Our experiment and theory demonstrate the exciton-polaron nature of both the ground and excited excitonic states in charged monolayer MoSe2 and WSe2.

Charge-Transfer Excited States in Aqueous DNA: Insights from Many-Body Green’s Function Theory

2014 ◽  
Vol 112 (22) ◽  
Author(s):  
Huabing Yin ◽  
Yuchen Ma ◽  
Jinglin Mu ◽  
Chengbu Liu ◽  
Michael Rohlfing
Keyword(s):  
Charge Transfer ◽  
Green’S Function ◽  
Excited States ◽  
Green's Function ◽  
Function Theory ◽  
Many Body

On excited states of the Au3 cluster: an ab initio study

Open Physics ◽  
2008 ◽  
Vol 6 (4) ◽  
Author(s):  
Alexander Rusakov ◽  
André Zaitsevskii
Keyword(s):  
Excited States ◽  
Spectroscopic Data ◽  
Reasonable Agreement ◽  
Dipole Moments ◽  
Electronic States ◽  
Ab Initio Study ◽  
Many Body ◽  
Transition Energies ◽  
Vertical Transition ◽  
Theoretical Results

AbstractExcited electronic states of the Au3 cluster are studied within the shape-consistent small-core relativistic pseudopotential model using many-body multipartitioning perturbation theory. Vertical transition energies and dipole moments are evaluated. For highly symmetric isomer, these theoretical results are in reasonable agreement with spectroscopic data from experiments.

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