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Simulations of laser‐assisted field emission within the local density approximation of Kohn–Sham density‐functional theory
Author(s) -
Hagmann Mark J.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)65:5<857::aid-qua49>3.0.co;2-u
Subject(s) - density functional theory , time dependent density functional theory , local density approximation , atomic physics , resonance (particle physics) , dipole , electron , quantum tunnelling , field (mathematics) , physics , laser , planar , floquet theory , momentum (technical analysis) , chemistry , quantum mechanics , nonlinear system , mathematics , pure mathematics , computer graphics (images) , finance , computer science , economics
We have developed procedures for determining the potential, electron density, and current at a planar metal surface with an applied static field in vacuum. These calculations are made using density‐functional theory within the local density approximation (LDA) for the Kohn–Sham exchange and correlation. Several different techniques were compared including the use of different expressions for the exchange and correlation energies. The steady‐state response of field emission to a laser is found using Floquet methods to solve the dipole approximation of the time‐dependent Schrödinger equation with the static potential obtained from density‐functional theory. These simulations show that there is a resonance in the response that causes a significant increase in the tunneling current. This resonance occurs for electrons that are promoted above the barrier by absorbing quanta from the laser when the line integral of the momentum between the turning points is equal to h /2. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65 : 857–865, 1997