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Items: 1 to 20 of 123

1.

Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method.

Doriol LJ, Gatti F, Iung C, Meyer HD.

J Chem Phys. 2008 Dec 14;129(22):224109. doi: 10.1063/1.3020716.

PMID:
19071909
3.

Theoretical investigation of intramolecular vibrational energy redistribution in highly excited HFCO.

Pasin G, Gatti F, Iung C, Meyer HD.

J Chem Phys. 2006 May 21;124(19):194304.

PMID:
16729811
5.

Multiconfiguration time-dependent Hartree approach to study the OH + H2 reaction.

Bhattacharya S, Panda AN, Meyer HD.

J Chem Phys. 2010 Jun 7;132(21):214304. doi: 10.1063/1.3429609.

PMID:
20528019
6.

Iterative diagonalization in the multiconfigurational time-dependent Hartree approach: ro-vibrational eigenstates.

Wodraszka R, Manthe U.

J Phys Chem A. 2013 Aug 15;117(32):7246-55. doi: 10.1021/jp401129t. Epub 2013 Apr 26.

PMID:
23565665
7.

A multi-configurational time-dependent Hartree approach to the eigenstates of multi-well systems.

Wodraszka R, Manthe U.

J Chem Phys. 2012 Mar 28;136(12):124119. doi: 10.1063/1.3698308.

PMID:
22462847
8.

Full-dimensional multi configuration time dependent Hartree calculations of the ground and vibrationally excited states of He2,3Br2 clusters.

Valdés A, Prosmiti R, Villarreal P, Delgado-Barrio G.

J Chem Phys. 2011 Aug 7;135(5):054303. doi: 10.1063/1.3618727.

PMID:
21823696
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12.

Multiconfiguration time-dependent Hartree method applied to molecular dissociation on surfaces: H2 + Pt(111).

Crespos C, Meyer HD, Mowrey RC, Kroes GJ.

J Chem Phys. 2006 Feb 21;124(7):74706.

PMID:
16497069
13.
14.

Iterative calculation of energy eigenstates employing the multilayer multiconfiguration time-dependent Hartree theory.

Wang H.

J Phys Chem A. 2014 Oct 2;118(39):9253-61. doi: 10.1021/jp503351t. Epub 2014 May 28.

PMID:
24832055
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17.

Theoretical investigation of intramolecular vibrational energy redistribution in HFCO and DFCO induced by an external field.

Pasin G, Iung C, Gatti F, Richter F, Léonard C, Meyer HD.

J Chem Phys. 2008 Oct 14;129(14):144304. doi: 10.1063/1.2991411.

PMID:
19045144
18.

Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H3O2(-) complex.

Peláez D, Sadri K, Meyer HD.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Feb 5;119:42-51. doi: 10.1016/j.saa.2013.05.008. Epub 2013 May 21.

PMID:
23831046
19.

Effects of intense femtosecond pumping on ultrafast electronic-vibrational dynamics in molecular systems with relaxation.

Egorova D, Gelin MF, Thoss M, Wang H, Domcke W.

J Chem Phys. 2008 Dec 7;129(21):214303. doi: 10.1063/1.3026509.

PMID:
19063557
20.

Multilayer Multiconfiguration Time-Dependent Hartree Theory.

Wang H.

J Phys Chem A. 2015 Jul 23;119(29):7951-65. doi: 10.1021/acs.jpca.5b03256. Epub 2015 Jun 19.

PMID:
26020459
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