Koopmans' theorem

Known as: Koopman's Theorem, Koopman, Koopmann's theorem 
Koopmans' theorem states that in closed-shell Hartree–Fock theory, the first ionization energy of a molecular system is equal to the negative of the… (More)
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Related topics

Related topics

9 relations
Basis set (chemistry)Density functional theoryHartree–Fock methodHückel method
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Broader (1)

Computational chemistry

Papers overview

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2017
2017
Ergodic Theory, Dynamic Mode Decomposition, and Computation of Spectral Properties of the Koopman Operator
We establish the convergence of a class of numerical algorithms, known as Dynamic Mode Decomposition (DMD), for computation of… (More)
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Review
2016
Review
2016
On the numerical approximation of the Perron-Frobenius and Koopman operator
Information about the behavior of dynamical systems can often be obtained by analyzing the eigenvalues and corresponding… (More)
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Highly Cited
2015
Highly Cited
2015
A Data-Driven Approximation of the Koopman Operator: Extending Dynamic Mode Decomposition
The Koopman operator is a linear but infinite-dimensional operator that governs the evolution of scalar observables defined on… (More)
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2013
2013
Long-range corrected functionals satisfy Koopmans' theorem: Calculation of correlation and relaxation energies
In this article, we show that the long-range-corrected (LC) density functionals LC-BOP and LCgau-BOP reproduce frontier orbital… (More)
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Highly Cited
2012
Highly Cited
2012
Variants of Dynamic Mode Decomposition: Boundary Condition, Koopman, and Fourier Analyses
Dynamic mode decomposition (DMD) is an Arnoldi-like method based on the Koopman operator. It analyzes empirical data, typically… (More)
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Highly Cited
2007
Highly Cited
2007
Sex Determination and Gonadal Development in Mammals
[PDF] [Full Text] [Abstract] , November 15, 2008; 135 (22): 3731-3743. Development N. L. Manuylov, F. O. Smagulova, L. Leach… (More)
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Highly Cited
2006
Highly Cited
2006
Cultural and leadership predictors of corporate social responsibility values of top management : a GLOBE study of 15 countries
Bolanle Adetoun, Angel Barrasa, Mariya Bobina, Muzaffer Bodur, Yi-Jung Chen, Sukhendu Debbarma, Peter Dorfman, Rosemary R… (More)
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Highly Cited
2003
Highly Cited
2003
Understanding Changes in International Business Cycle Dynamics May 2003
The volatility of economic activity in most G7 economies has moderated over the past forty years. Also, despite large increases… (More)
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Highly Cited
2002
Highly Cited
2002
Range-Based Estimation of Stochastic Volatility Models
We propose using the price range in the estimation of stochastic volatility models. We show theoretically, numerically, and… (More)
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Highly Cited
2000
Highly Cited
2000
An application-oriented view of modeling uncertainty
Uncertainty is involved in many real phenomena. Whether one considers uncertainty explicitly when modeling such a phenomenon is… (More)
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