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Schmied, Roman.

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Density-functional calculations of excitations in doped helium nanodroplets.

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Density-functional calculations of excitations in doped helium nanodroplets./
Author:	Schmied, Roman.
Description:	193 p.
Notes:	Adviser: Kevin K. Lehmann.
Contained By:	Dissertation Abstracts International67-01B.
Subject:	Chemistry, Physical. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3206549
ISBN:	9780542529863

Density-functional calculations of excitations in doped helium nanodroplets.
Schmied, Roman.

Density-functional calculations of excitations in doped helium nanodroplets. - 193 p.

Adviser: Kevin K. Lehmann.

Thesis (Ph.D.)--Princeton University, 2006.

The global and local normal-fluid fractions of pure and doped superfluid helium nanodroplets are calculated and compared to previous results.

ISBN: 9780542529863Subjects--Topical Terms:

560527
Chemistry, Physical.

Density-functional calculations of excitations in doped helium nanodroplets.
LDR:02693nam 2200325 a 45 001 974126
005 20110929
008 110929s2006 eng d
020 $a 9780542529863
035 $a (UMI)AAI3206549
035 $a AAI3206549
040 $a UMI $c UMI
100 1 $a Schmied, Roman. $3 1298070
245 1 0 $a Density-functional calculations of excitations in doped helium nanodroplets.
300 $a 193 p.
500 $a Adviser: Kevin K. Lehmann.
500 $a Source: Dissertation Abstracts International, Volume: 67-01, Section: B, page: 0291.
502 $a Thesis (Ph.D.)--Princeton University, 2006.
520 $a The global and local normal-fluid fractions of pure and doped superfluid helium nanodroplets are calculated and compared to previous results.
520 $a The surface waves of helium nanodroplets are calculated beyond the simple liquid-drop model. We find that there are three separate branches of surface waves, not only one as previously assumed throughout the literature.
520 $a Time-dependent density-functional theory is used to explore the microscopic dynamics of superfluid helium. The framework of normal modes in density-functional theory is derived, along with formulae for interpreting its results.
520 $a Numerical calculations are presented for spherically symmetric systems. These results are the first published calculations of helium excitations with high angular momenta, which are essential for determining the structure factor and superfluid fraction of helium nanodroplets with density-functional theory. The helium density functional of Dalfovo et al., Phys. Rev. B. 52,2 p. 1193 (1995) is used, and a list of quantitative and qualitative future improvements is presented.
520 $a For doped superfluid helium droplets, localized excitations in the solvation density are calculated, and their influence on dopant spectra is explored and compared to experimental results. The split zero-phonon lines of electronic dopant spectra are due to local conformers of strongly attached helium shells, which spontaneously break the spherical symmetry of the system. The structures on the phonon wings of such spectra are related to localized helium excitations. The influence of helium excitations on the rotational dynamics of linear molecules is studied for HCN/DCN and HCCH, and is linked to a permanent normal-fluid fraction induced by the anisotropy of the molecules.
590 $a School code: 0181.
650 4 $a Chemistry, Physical. $3 560527
650 4 $a Physics, Condensed Matter. $3 1018743
690 $a 0494
690 $a 0611
710 2 0 $a Princeton University. $3 645579
773 0 $t Dissertation Abstracts International $g 67-01B.
790 $a 0181
790 1 0 $a Lehmann, Kevin K., $e advisor
791 $a Ph.D.
792 $a 2006
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3206549