Effect of Correlation on the One-Electron Wave Function in Atoms

1965 ◽  
Vol 139 (1A) ◽  
pp. A1-A3 ◽  
Author(s):  
S. Lundqvist ◽  
C. W. Ufford
Keyword(s):  
Wave Function ◽  
Electron Wave Function ◽  
Electron Wave ◽  
The One

"VECTAL" REPRESENTATION OF THE WAVE FUNCTION AND ITS PHYSICAL MEANING

1967 ◽  
Vol 45 (11) ◽  
pp. 3667-3676
Author(s):  
C. S. Lin
Keyword(s):  
Wave Function ◽  
Wave Functions ◽  
Electron Wave Function ◽  
Electron Wave ◽  
Expectation Values ◽  
Expectation Value ◽  
Hartree Fock ◽  
The One ◽  
The Relationship ◽  
Determinantal Form

A new form of one-electron wave function, "vectal," is introduced. It is shown that an arbitrary CI geminal and a certain class of many-electron wave functions can be represented in a single-determinantal form in terms of the vectal. Eigenvalue equations for the vectal, similar to that of the Hartree–Fock theory, are derived and the vectal representation is shown to enable a formal interpretation of the CI theory in the Hartree–Fock manner. The eigenvalue, vectal energy, is interpreted as the negative of an ionization potential, in Koop-man's sense, of the system described by the CI wave function. It is also shown that the expectation value of any one-electron operator, [Formula: see text], where Ψ is the CI wave function, is expressible in terms of the expectation values of the same operator with respect to the vectals. The vectals are interpreted as the one-electron wave function in the CI space.A possible application of the vectal representation is briefly described, and the relationship between the vectal representation and the "scalar representation" is discussed.

scholarly journals Sculpturing the electron wave function using nanoscale phase masks

2014 ◽  
Vol 144 ◽  
pp. 26-31 ◽  
Author(s):  
Roy Shiloh ◽  
Yossi Lereah ◽  
Yigal Lilach ◽  
Ady Arie
Keyword(s):  
Wave Function ◽  
Electron Wave Function ◽  
Electron Wave

scholarly journals Efficient and Flexible Computation of Many-Electron Wave Function Overlaps

2016 ◽  
Vol 12 (3) ◽  
pp. 1207-1219 ◽  
Author(s):  
Felix Plasser ◽  
Matthias Ruckenbauer ◽  
Sebastian Mai ◽  
Markus Oppel ◽  
Philipp Marquetand ◽  
...  
Keyword(s):  
Wave Function ◽  
Electron Wave Function ◽  
Electron Wave
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