Molecular Applications of Quantum Defect Theory

2019 ◽  
Author(s):  
Ch Jungen
Keyword(s):  
Quantum Defect ◽  
Quantum Defect Theory

Quantum Defect Theory ionization channels of super-excited molecule SO 2

1986 ◽  
Vol 3 (10) ◽  
pp. 441-444
Author(s):  
Guo Weili ◽  
Liang Xiaoling ◽  
Li Jiaming
Keyword(s):  
Excited Molecule ◽  
Quantum Defect ◽  
Quantum Defect Theory

scholarly journals Defect extremal surface for reflected entropy

2022 ◽  
Vol 2022 (1) ◽  
Author(s):  
Tianyi Li ◽  
Ma-Ke Yuan ◽  
Yang Zhou
Keyword(s):  
Black Hole ◽  
Mixed State ◽  
Entanglement Entropy ◽  
Quantum Defect ◽  
Entropy Measure ◽  
Extremal Surface ◽  
Decomposition Procedure ◽  
Hole Model ◽  
Quantum Defect Theory

Abstract Defect extremal surface is defined by extremizing the Ryu-Takayanagi formula corrected by the quantum defect theory. This is interesting when the AdS bulk contains a defect brane (or string). We introduce a defect extremal surface formula for reflected entropy, which is a mixed state generalization of entanglement entropy measure. Based on a decomposition procedure of an AdS bulk with a brane, we demonstrate the equivalence between defect extremal surface formula and island formula for reflected entropy in AdS3/BCFT2. We also compute the evolution of reflected entropy in evaporating black hole model and find that defect extremal surface formula agrees with island formula.

AB INITIO R-MATRIX/MULTI-CHANNEL QUANTUM DEFECT THEORY APPROACH TO STUDY MOLECULAR CORE EXCITATION AND IONIZATION: GSCF4R

2005 ◽  
Vol 04 (01) ◽  
pp. 35-47 ◽  
Author(s):  
MIYABI HIYAMA ◽  
NOBUHIRO KOSUGI
Keyword(s):  
Ab Initio ◽  
Quantum Defect ◽  
Theory Approach ◽  
Core Excitation ◽  
Close Coupling ◽  
R Matrix ◽  
Continuum States ◽  
Molecular Core ◽  
Quantum Defect Theory ◽  
Correlation Term

The ab initio program package named GSCF4R, which is based on the polyatomic R-matrix/MQDT (multi-channel quantum defect theory), has been developed using Gaussian type basis functions for the bound and continuum states to analyze the near edge feature of molecular inner shell excitations. The GSCF4R code is constructed by improvement and extension of the ordinal static exchange (STEX) approach. The R-matrix approach used in GSCF4R is beyond multi-channel multi-reference extensions of STEX, since it is based on the close coupling method augmented with the correlation term solved in the inner part of the R-matrix sphere. Simplification of the input data in GSCF4R has demonstrated that the R-matrix/MQDT method could be widely used in analysis of the molecular inner shell excitation and ionization. The quantum defects of the Rydberg states converging to the lowest valence ionized state NO +(1∑+) and the lowest N1 s ionized state N ⋆ O +(3Π) have been calculated.

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