These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
5. Probing the geometry dependence of molecular dimers with two-dimensional-vibronic spectroscopy. Seibt J; Renziehausen K; Voronine DV; Engel V J Chem Phys; 2009 Apr; 130(13):134318. PubMed ID: 19355743 [TBL] [Abstract][Full Text] [Related]
6. A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations. Meng Q; Meyer HD J Chem Phys; 2013 Jan; 138(1):014313. PubMed ID: 23298047 [TBL] [Abstract][Full Text] [Related]
7. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide. Meng Q; Meyer HD J Chem Phys; 2014 Sep; 141(12):124309. PubMed ID: 25273439 [TBL] [Abstract][Full Text] [Related]
8. First-principles simulations of the initial phase of self-aggregation of a cyanine dye: structure and optical spectra. Haverkort F; Stradomska A; Knoester J J Phys Chem B; 2014 Jul; 118(29):8877-90. PubMed ID: 24979675 [TBL] [Abstract][Full Text] [Related]
9. Vibronic energies and spectra of molecular dimers. Eisfeld A; Braun L; Strunz WT; Briggs JS; Beck J; Engel V J Chem Phys; 2005 Apr; 122(13):134103. PubMed ID: 15847451 [TBL] [Abstract][Full Text] [Related]
10. Vibronic coupling in asymmetric bichromophores: theory and application to diphenylmethane-d(5). Nebgen B; Slipchenko LV J Chem Phys; 2014 Oct; 141(13):134119. PubMed ID: 25296796 [TBL] [Abstract][Full Text] [Related]
11. Interplay between nonadiabatic dynamics and Frenkel exciton transfer in molecular aggregates: formulation and application to a perylene bismide model. Schröter M; Kühn O J Phys Chem A; 2013 Aug; 117(32):7580-8. PubMed ID: 23656426 [TBL] [Abstract][Full Text] [Related]
12. Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine. Burghardt I; Giri K; Worth GA J Chem Phys; 2008 Nov; 129(17):174104. PubMed ID: 19045330 [TBL] [Abstract][Full Text] [Related]
13. Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: excited state tunneling splittings in malonaldehyde. Hammer T; Manthe U J Chem Phys; 2012 Feb; 136(5):054105. PubMed ID: 22320723 [TBL] [Abstract][Full Text] [Related]
14. An adiabatic model for calculating overtone spectra of dimers such as (H(2)O)(2). Tennyson J; Barber MJ; Kelly RE Philos Trans A Math Phys Eng Sci; 2012 Jun; 370(1968):2656-74. PubMed ID: 22547237 [TBL] [Abstract][Full Text] [Related]
15. Towards microscopic assignment of oscillative signatures in two-dimensional electronic photon-echo signals of vibronic oligomers: a vibronic dimer model. Sharp LZ; Egorova D J Chem Phys; 2013 Oct; 139(14):144304. PubMed ID: 24116616 [TBL] [Abstract][Full Text] [Related]
16. Multimode simulation of dimer absorption spectra from first principles calculations: application to the 3,4,9,10-perylenetetracarboxylic diimide dimer. Guthmuller J; Zutterman F; Champagne B J Chem Phys; 2009 Oct; 131(15):154302. PubMed ID: 20568859 [TBL] [Abstract][Full Text] [Related]
18. Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex. Ma T; Bonfanti M; Eisenbrandt P; Martinazzo R; Burghardt I J Chem Phys; 2018 Dec; 149(24):244107. PubMed ID: 30599718 [TBL] [Abstract][Full Text] [Related]
19. Wavepacket dynamics and the multi-configurational time-dependent Hartree approach. Manthe U J Phys Condens Matter; 2017 Jun; 29(25):253001. PubMed ID: 28430111 [TBL] [Abstract][Full Text] [Related]
20. A new collocation-based multi-configuration time-dependent Hartree (MCTDH) approach for solving the Schrödinger equation with a general potential energy surface. Wodraszka R; Carrington T J Chem Phys; 2018 Jan; 148(4):044115. PubMed ID: 29390829 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]