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Real-Time Time-Dependent Electronic Structure Theory.
Li X, Govind N, Isborn C, DePrince AE 3rd, Lopata K. Li X, et al. Among authors: isborn c. Chem Rev. 2020 Sep 23;120(18):9951-9993. doi: 10.1021/acs.chemrev.0c00223. Epub 2020 Aug 19. Chem Rev. 2020. PMID: 32813506
Rational enhancement of second-order nonlinearity: bis-(4-methoxyphenyl)hetero-aryl-amino donor-based chromophores: design, synthesis, and electrooptic activity.
Davies JA, Elangovan A, Sullivan PA, Olbricht BC, Bale DH, Ewy TR, Isborn CM, Eichinger BE, Robinson BH, Reid PJ, Li X, Dalton LR. Davies JA, et al. Among authors: isborn cm. J Am Chem Soc. 2008 Aug 13;130(32):10565-75. doi: 10.1021/ja8007424. Epub 2008 Jul 19. J Am Chem Soc. 2008. PMID: 18642806
Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search.
Liang W, Isborn CM, Li X. Liang W, et al. J Chem Phys. 2009 Nov 28;131(20):204101. doi: 10.1063/1.3266564. J Chem Phys. 2009. PMID: 19947669
We have previously shown that the use of a resonantly tuned field within real-time TDHF and TDDFT is able to simultaneously excite both the alpha and beta electrons to achieve the two-electron excited states of minimal basis H(2) and HeH(+) [C. M. Isborn and X. Li, …
We have previously shown that the use of a resonantly tuned field within real-time TDHF and TDDFT is able to simultaneously excite both the …
55 results