.delta. .fwdarw. .delta.* Transition energies as a function of .delta.-bond strength: an extrapolative assessment of the ground-state electron correlation energy

1985 ◽  
Vol 24 (2) ◽  
pp. 177-181 ◽  
Author(s):  
Fred L. Campbell ◽  
F. Albert Cotton ◽  
Gregory L. Powell
Keyword(s):  
Bond Strength ◽  
Electron Correlation ◽  
Ground State ◽  
Correlation Energy ◽  
Transition Energies ◽  
State Electron ◽  
Electron Correlation Energy ◽  
Ground State Electron

scholarly journals CALCULATING THE POSITRON – ELECTRON CORRELATION ENERGY IN ZnO WITH THE MODIFIED SINGLE WAVE FUNCTION FOR POSITRON

2011 ◽  
Vol 14 (4) ◽  
pp. 77-85
Author(s):  
Tao Van Chau ◽  
Lang Hoa Trinh ◽  
Tuan Anh Nguyen ◽  
Chien Hoang Le ◽  
Loc Huu Nguyen
Keyword(s):  
Wave Function ◽  
Electron Correlation ◽  
Ground State ◽  
Quantum Monte Carlo ◽  
Correlation Energy ◽  
Linear Superposition ◽  
Single Wave ◽  
Electron Correlation Energy ◽  
Quantum Monte Carlo Method ◽  
Principle Of Linear Superposition

The ZnO – positron system is studied and its positron – electron correlation energy is estimated in its ground state. The positron binds with the outer shell electrons of Zinc and Oxigen to form the pseudo ZnO – positron molecule before it anihilates with one of these electrons. In this work, the single wave function for positron is modified according to the principle of linear superposition, and by using Variational Quantum Monte – Carlo method (VQMC) the correlation energy of this system is estimated with the value Ec e-p = - 9.3 ± 1.1 eV. It turns out that the value is closer to results estimated by other methods than the value that we had done before.

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