Simple Configuration‐Interaction Wave Functions. I. Two‐Electron Ions: A Numerical Study

1960 ◽  
Vol 32 (5) ◽  
pp. 1402-1406 ◽  
Author(s):  
J. N. Silverman ◽  
O. Platas ◽  
F. A. Matsen
Keyword(s):  
Configuration Interaction ◽  
Numerical Study ◽  
Wave Functions

scholarly journals NUMERICAL STUDY OF CHARGE AND STATISTICS OF LAUGHLIN QUASIPARTICLES

1999 ◽  
Vol 14 (04) ◽  
pp. 537-557 ◽  
Author(s):  
HEIDI KJØNSBERG ◽  
JAN MYRHEIM
Keyword(s):  
Numerical Study ◽  
Finite Size ◽  
Expected Value ◽  
Wave Functions ◽  
Numerical Calculations ◽  
Filling Fraction ◽  
Slow Convergence ◽  
Berry Phases ◽  
Size Correction ◽  
Finite Size Correction

We present numerical calculations of the charge and statistics, as extracted from Berry phases, of the Laughlin quasiparticles, near filling fraction 1/3, and for system sizes of up to 200 electrons. For the quasiholes our results confirm that the charge and statistics parameter are e/3 and 1/3, respectively. For the quasielectron charge we find a slow convergence towards the expected value of -e/3, with a finite size correction for N electrons of approximately -0.13e/N. The statistics parameter for the quasielectrons has no well defined value even for 200 electrons, but might possibly converge to 1/3. The anyon model works well for the quasiholes, but requires singular two-anyon wave functions for modelling two Laughlin quasielectrons.

scholarly journals Unrestricted treatment for the direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions

2019 ◽  
Vol 150 (16) ◽  
pp. 164106 ◽  
Author(s):  
Diego R. Alcoba ◽  
Alicia Torre ◽  
Luis Lain ◽  
Gustavo E. Massaccesi ◽  
Ofelia B. Oña ◽  
...  
Keyword(s):  
Density Matrix ◽  
Configuration Interaction ◽  
Wave Functions ◽  
Reduced Density Matrix ◽  
Reduced Density

Substituent effects on the electronic spectra of aromatic hydrocarbons I. A comparison of the localized-orbital and iso-conjugate-hydrocarbon models for interpreting the spectra of amino- and nitrobenzenes

1964 ◽  
Vol 278 (1372) ◽  
pp. 57-63 ◽  
Keyword(s):  
Aromatic Hydrocarbons ◽  
Configuration Interaction ◽  
Electronic Spectra ◽  
Substituent Effects ◽  
Phenyl Group ◽  
Zero Order ◽  
Wave Functions ◽  
Localized Orbital

Two models are used to analyze the spectra of aniline and nitrobenzene. These are the localized-orbital model, in which there is no delocalization of the electrons between the phenyl group and the substituent, and the iso-conjugate-hydrocarbon model, in which there is complete delocalization. Neither model is very satisfactory with zero-order wave functions and energies. Both give a satisfactory interpretation of the spectra if configuration interaction is taken into account but the localized-orbital model is rather better for calculating energies. The localized-orbital model is also more readily applied to polysubstituted benzenes.

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