Calculation of molecular response proper
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Michael S. Deleuze; Barry T. Pickup; David J. Wilton
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Article
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2000
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John Wiley and Sons
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English
โ 575 KB
We present the theory of the electron propagator perturbed by an external electric field and show how it can be used to calculate a variety of one-electron linear response properties that are accurate through second order in electron correlation. Some illustrative calculations are discussed.