Literature DB >> 24981529

Double-core excitations in formamide can be probed by X-ray double-quantum-coherence spectroscopy.

Yu Zhang1, Daniel Healion1, Jason D Biggs1, Shaul Mukamel1.   

Abstract

The attosecond, time-resolved X-ray double-quantum-coherence four-wave mixing signals of formamide at the nitrogen and oxygen K-edges are simulated using restricted excitation window time-dependent density functional theory and the excited core hole approximation. These signals, induced by core exciton coupling, are particularly sensitive to the level of treatment of electron correlation, thus providing direct experimental signatures of electron and core-hole many-body effects and a test of electronic structure theories.

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Year:  2013        PMID: 24981529      PMCID: PMC3637328          DOI: 10.1063/1.4798635

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  71 in total

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Authors:  Nicholas A Besley; Frans A Asmuruf
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5.  Doubly, triply, and multiply excited states from a constrained optimized effective potential method.

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Journal:  J Chem Phys       Date:  2010-05-28       Impact factor: 3.488

6.  Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functional.

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Journal:  J Chem Phys       Date:  2006-03-07       Impact factor: 3.488

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8.  Spin-flip time dependent density functional theory applied to excited states with single, double, or mixed electron excitation character.

Authors:  Zilvinas Rinkevicius; Olav Vahtras; Hans Agren
Journal:  J Chem Phys       Date:  2010-09-21       Impact factor: 3.488

9.  Coupled-cluster and density functional theory studies of the electronic excitation spectra of trans-1,3-butadiene and trans-2-propeniminium.

Authors:  Olli Lehtonen; Dage Sundholm; Robert Send; Mikael P Johansson
Journal:  J Chem Phys       Date:  2009-07-14       Impact factor: 3.488

10.  Two-dimensional double-quantum spectra reveal collective resonances in an atomic vapor.

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Journal:  Phys Rev Lett       Date:  2012-05-07       Impact factor: 9.161

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  2 in total

1.  Multiple Core and Vibronic Coupling Effects in Attosecond Stimulated X-Ray Raman Spectroscopy (SXRS).

Authors:  Weijie Hua; Jason D Biggs; Yu Zhang; Daniel Healion; Hao Ren; Shaul Mukamel
Journal:  J Chem Theory Comput       Date:  2013-12-10       Impact factor: 6.006

2.  Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation.

Authors:  Weijie Hua; Kochise Bennett; Yu Zhang; Yi Luo; Shaul Mukamel
Journal:  Chem Sci       Date:  2016-05-12       Impact factor: 9.825

  2 in total

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