molecular excited states
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scholarly journals Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materials

2022 ◽  
Author(s):  
Musen Li ◽  
Rika Kobayashi ◽  
Roger Amos ◽  
Mike Ford ◽  
Jeffrey Robert Reimers
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Materials Science ◽  
Spectroscopic Properties ◽  
Density Functionals ◽  
Potential Error ◽  
Properties Of Materials ◽  
Asymptotic Potential ◽  
Molecular Excited States

Five effects of correction of the asymptotic potential error in density functionals are identified that significantly improve calculated properties of molecular excited states involving charge-transfer character. Newly developed materials-science computational...

scholarly journals Probing Molecular Excited States by Atomic Force Microscopy

2021 ◽  
Vol 126 (17) ◽  
Author(s):  
Shadi Fatayer ◽  
Florian Albrecht ◽  
Ivano Tavernelli ◽  
Mats Persson ◽  
Nikolaj Moll ◽  
...  
Keyword(s):  
Atomic Force Microscopy ◽  
Excited States ◽  
Force Microscopy ◽  
Atomic Force ◽  
Molecular Excited States

scholarly journals Computation of molecular excited states on IBM quantum computers using a discriminative variational quantum eigensolver

2020 ◽  
Vol 102 (6) ◽  
Author(s):  
Jules Tilly ◽  
Glenn Jones ◽  
Hongxiang Chen ◽  
Leonard Wossnig ◽  
Edward Grant
Keyword(s):  
Excited States ◽  
Quantum Computers ◽  
Molecular Excited States

scholarly journals Two-Dimensional Impulsively Stimulated Resonant Raman Spectroscopy of Molecular Excited States

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Giuseppe Fumero ◽  
Christoph Schnedermann ◽  
Giovanni Batignani ◽  
Torsten Wende ◽  
Matz Liebel ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Excited States ◽  
Two Dimensional ◽  
Resonant Raman ◽  
Molecular Excited States

scholarly journals Near-infrared light control of membrane potential by an electron donor–acceptor linked molecule

2020 ◽  
Vol 56 (83) ◽  
pp. 12562-12565
Author(s):  
Yuta Takano ◽  
Kazuaki Miyake ◽  
Jeladhara Sobhanan ◽  
Vasudevanpillai Biju ◽  
Nikolai V. Tkachenko ◽  
...  
Keyword(s):  
Membrane Potential ◽  
Excited States ◽  
Electron Donor ◽  
Near Infrared ◽  
Infrared Light ◽  
Light Control ◽  
Near Infrared Light ◽  
Donor Acceptor ◽  
Molecular Excited States

(π-Extended porphyrin)–fullerene linked molecules are synthesized to utilize the molecular excited states induced by near-infrared light. One of the molecules successfully alters the membrane potential.

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