Continuum wave functions and phase shifts for the one-electron state of the Coulomb two-center problem

1993 ◽  
Vol 48 (1) ◽  
pp. 88-95 ◽  
Author(s):  
Y. S. Tergiman
Keyword(s):  
Electron State ◽  
Phase Shifts ◽  
Wave Functions ◽  
Center Problem ◽  
The One ◽  
Continuum Wave

scholarly journals Intercombination Transitions between Levels X1Σg+ and A 3Πu in C2

1987 ◽  
Vol 120 ◽  
pp. 103-105
Author(s):  
J. Le Bourlot ◽  
E. Roueff
Keyword(s):  
Transition Probabilities ◽  
Energy Levels ◽  
Wave Functions ◽  
Spin Orbit Coupling ◽  
Energy Matrix ◽  
First Order ◽  
Emission Transition ◽  
Intercombination Transition ◽  
The One ◽  
Potential Curves

We present a new calculation of intercombination transition probabilities between levels X1Σg+ and a 3Πu of the C2 molecule. Starting from experimental energy levels, we calculate RKR potential curves using Leroy's Near Dissociation Expansion (NDE) method; these curves give us wave functions for all levels of interest. We then compute the energy matrix for the four lowest states of C2, taking into account Spin-Orbit coupling between a 3Πu and A 1Πu on the one hand and X 1Σ+g and b 3Σg− on the other. First order wave functions are then derived by diagonalization. Einstein emission transition probabilities of the Intercombination lines are finally obtained.

Semi-empirical Molecular Orbital Energy Levels of the Hexammine and Chloroammine Complexes of Co(IV)

1967 ◽  
Vol 22 (2) ◽  
pp. 170-175 ◽  
Author(s):  
Walter A. Yeranos ◽  
David A. Hasman
Keyword(s):  
Molecular Orbital ◽  
Energy Levels ◽  
Empirical Evaluation ◽  
Wave Functions ◽  
Electronic Transitions ◽  
Orbital Energy ◽  
Molecular Orbital Energy ◽  
The One ◽  
Semi Empirical

Using the recently proposed reciprocal mean for the semi-empirical evaluation of resonance integrals, as well as approximate SCF wave functions for Co3+, the one-electron molecular energy levels of Co (NH3) 3+, Co (NH3) 5Cl2+, and Co (NH3) 4Cl21+ have been redetermined within the WOLFSBERG–HELMHOLZ approximation. The outcome of the study fits remarkably well with the observed electronic transitions in the u.v. spectra of these complexes and prompts different band assignments than previously suggested.

scholarly journals S-wave kaon–nucleon potentials with all-to-all propagators in the HAL QCD method

2020 ◽  
Vol 2020 (9) ◽  
Author(s):  
Kotaro Murakami ◽  
◽  
Yutaro Akahoshi ◽  
Sinya Aoki
Keyword(s):  
Lattice Qcd ◽  
Pion Mass ◽  
Phase Shifts ◽  
Quark Propagator ◽  
Repulsive Interaction ◽  
S Wave ◽  
Experimental Phase ◽  
Future Studies ◽  
Zero Momentum ◽  
The One

Abstract Employing an all-to-all quark propagator technique, we investigate kaon–nucleon interactions in lattice QCD. We calculate the S-wave kaon–nucleon potentials at the leading order in the derivative expansion in the time-dependent HAL QCD method, using (2+1)-flavor gauge configurations on $32^3 \times 64$ lattices with lattice spacing $a \approx 0.09$ fm and pion mass $m_{\pi} \approx 570$ MeV. We take the one-end trick for all-to-all propagators, which allows us to put the zero-momentum hadron operators at both source and sink and to smear quark operators at the source. We find a stronger repulsive interaction in the $I=1$ channel than in the $I=0$. The phase shifts obtained by solving the Schrödinger equations with the potentials qualitatively reproduce the energy dependence of the experimental phase shifts, and have similar behavior to previous results from lattice QCD without all-to-all propagators. Our study demonstrates that the all-to-all quark propagator technique with the one-end trick is useful for studying interactions in meson–baryon systems in the HAL QCD method, so we will apply it to meson–baryon systems which contain quark–antiquark creation/annihilation processes in our future studies.

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