scholarly journals All-Electron Gaussian-Based G0W0 for Valence and Core Excitation Energies of Periodic Systems

2021 ◽  
Author(s):  
Tianyu Zhu ◽  
Garnet Kin-Lic Chan
Keyword(s):  
Periodic Systems ◽  
Excitation Energies ◽  
Core Excitation

Systematics on the low-lying spectra in N = 78 ~ 80 isotones

2014 ◽  
Vol 23 (08) ◽  
pp. 1450037
Author(s):  
Y. Y. Cheng ◽  
S. Q. Zhang ◽  
X. Q. Li ◽  
H. Hua ◽  
C. Xu ◽  
...  
Keyword(s):  
Systematic Investigation ◽  
Excitation Energies ◽  
Core Excitation ◽  
Neutron Hole ◽  
Core Excitations ◽  
Spectroscopy Studies ◽  
Relative Excitation

Combining the new spectroscopy results of 144 Tb and previous spectroscopy studies of neighboring nuclei, a systematic investigation on the low-lying spectra in N = 78 ~ 80 isotones is performed. Good systematics have been found for the coupling patterns which couple the odd nucleon(s), such as πh11/2, [Formula: see text], to the 2+, 4+, 6+ and 3- core excitations. It is found that the relative excitation energies of the states formed by coupling h11/2 proton(s) to the 2+, 4+ core excitations are pushed up, in contrast with those formed by coupling h11/2 neutron hole(s) to the 2+, 4+ core excitations, which are pulled down. According to the systematics, the interpretation that the 17/2+ states observed in 141 Sm and 143 Gd are the fully aligned member of coupling the odd h11/2 neutron hole to the octupole 3- core excitation, is explored to the isotones 145 Dy , 142 Eu , and 144 Tb .

scholarly journals Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models

2017 ◽  
Vol 146 (14) ◽  
pp. 144109 ◽  
Author(s):  
Ida-Marie Høyvik ◽  
Rolf Heilemann Myhre ◽  
Henrik Koch
Keyword(s):  
Cluster Models ◽  
Coupled Cluster ◽  
Excitation Energies ◽  
Core Excitation

scholarly journals Functional dependence of core-excitation energies

2004 ◽  
Vol 121 (21) ◽  
pp. 10339-10345 ◽  
Author(s):  
Osamu Takahashi ◽  
Lars G. M. Pettersson
Keyword(s):  
Functional Dependence ◽  
Excitation Energies ◽  
Core Excitation

A quantitative approach to inner shell losses

1978 ◽  
Vol 36 (1) ◽  
pp. 526-527 ◽  
Author(s):  
R.D. Leapman ◽  
P. Rez ◽  
D.F. Mayers
Keyword(s):  
Energy Transfer ◽  
Cross Section ◽  
Cross Sections ◽  
Accurate Determination ◽  
Background Intensity ◽  
Core Excitation ◽  
Quantitative Basis ◽  
Cross Section Differential ◽  
Bound Electrons

Microanalysis by EELS has been developing rapidly and though the general form of the spectrum is now understood there is a need to put the technique on a more quantitative basis (1,2). Certain aspects important for microanalysis include: (i) accurate determination of the partial cross sections, σx(α,ΔE) for core excitation when scattering lies inside collection angle a and energy range ΔE above the edge, (ii) behavior of the background intensity due to excitation of less strongly bound electrons, necessary for extrapolation beneath the signal of interest, (iii) departures from the simple hydrogenic K-edge seen in L and M losses, effecting σx and complicating microanalysis. Such problems might be approached empirically but here we describe how computation can elucidate the spectrum shape.The inelastic cross section differential with respect to energy transfer E and momentum transfer q for electrons of energy E0 and velocity v can be written as

Erratum - Frustration in periodic systems : exact results for some 2D ising models

1979 ◽  
Vol 40 (10) ◽  
pp. 1024-1024
Author(s):  
G. André ◽  
R. Bidaux ◽  
J.-P. Carton ◽  
R. Conte ◽  
L. de Seze
Keyword(s):  
Ising Models ◽  
Periodic Systems ◽  
Exact Results

NEAR EDGE CORE EXCITATION SPECTRA OF COMPLEX MOLECULES

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-575-C8-578 ◽  
Author(s):  
A. P. HITCHCOCK
Keyword(s):  
Excitation Spectra ◽  
Core Excitation ◽  
Complex Molecules
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