290 research outputs found
Ab initio quantum dynamics using coupled-cluster
The curse of dimensionality (COD) limits the current state-of-the-art {\it ab
initio} propagation methods for non-relativistic quantum mechanics to
relatively few particles. For stationary structure calculations, the
coupled-cluster (CC) method overcomes the COD in the sense that the method
scales polynomially with the number of particles while still being
size-consistent and extensive. We generalize the CC method to the time domain
while allowing the single-particle functions to vary in an adaptive fashion as
well, thereby creating a highly flexible, polynomially scaling approximation to
the time-dependent Schr\"odinger equation. The method inherits size-consistency
and extensivity from the CC method. The method is dubbed orbital-adaptive
time-dependent coupled-cluster (OATDCC), and is a hierarchy of approximations
to the now standard multi-configurational time-dependent Hartree method for
fermions. A numerical experiment is also given.Comment: 5 figure
Repulsive Casimir and Casimir-Polder Forces
Casimir and Casimir-Polder repulsion have been known for more than 50 years.
The general "Lifshitz" configuration of parallel semi-infinite dielectric slabs
permits repulsion if they are separated by a dielectric fluid that has a value
of permittivity that is intermediate between those of the dielectric slabs.
This was indirectly confirmed in the 1970s, and more directly by Capasso's
group recently. It has also been known for many years that electrically and
magnetically polarizable bodies can experience a repulsive quantum vacuum
force. More amenable to practical application are situations where repulsion
could be achieved between ordinary conducting and dielectric bodies in vacuum.
The status of the field of Casimir repulsion with emphasis on recent
developments will be surveyed. Here, stress will be placed on analytic
developments, especially of Casimir-Polder (CP) interactions between
anisotropically polarizable atoms, and CP interactions between anisotropic
atoms and bodies that also exhibit anisotropy, either because of anisotropic
constituents, or because of geometry. Repulsion occurs for wedge-shaped and
cylindrical conductors, provided the geometry is sufficiently asymmetric, that
is, either the wedge is sufficiently sharp or the atom is sufficiently far from
the cylinder.Comment: 24 pages, 14 figures, contribution to the special issue of J. Phys. A
honoring Stuart Dowker. This revision corrects typos and adds additional
references and discussio
Casimir-Polder interaction of fullerene molecules with surfaces
We calculate the thermal Casimir--Polder potential of C60 and C70 fullerene
molecules near gold and silicon nitride surfaces, motivated by their relevance
for molecular matter wave interference experiments. We obtain the coefficients
governing the asymptotic power laws of the interaction in the thermal, retarded
and nonretarded distance regimes and evaluate the full potential numerically.
The interaction is found to be dominated by electronic transitions, and hence
independent of the internal temperature of the molecules. The contributions
from phonon transitions, which are affected by the molecular temperature, give
rise to only a small correction. Moreover, we find that the sizeable molecular
line widths of thermal fullerenes may modify the nonretarded interaction,
depending on the model used. Detailed measurements of the nonretarded potential
of fullerene thus allow one to distinguish between different theories of
incorporating damping.Comment: 9 pages, 8 figures, 9 table
Analytical and Numerical Verification of the Nernst Theorem for Metals
In view of the current discussion on the subject, an effort is made to show
very accurately both analytically and numerically how the Drude dispersion
model gives consistent results for the Casimir free energy at low temperatures.
Specifically, for the free energy near T=0 we find the leading term to be
proportional to T^2 and the next-to-leading term proportional to T^{5/2}. These
terms give rise to zero Casimir entropy as T approaches zero, and is thus in
accordance with Nernst's theorem.Comment: 19 pages latex, 3 figures. v4: Figures updated. This is the final
version, accepted for publication in Physical Review
Sign of the Casimir-Polder interaction between atoms and oil-water interfaces: Subtle dependence on dielectric properties
We demonstrate that Casimir-Polder energies between noble gas atoms
(dissolved in water) and oil-water interfaces are highly surface specific. Both
repulsion (e.g. hexane) and attraction (e.g. glycerine and cyclodecane) is
found with different oils. For several intermediate oils (e.g. hexadecane,
decane, and cyclohexane) both attraction and repulsion can be found in the same
system. Near these oil-water interfaces the interaction is repulsive in the
non-retarded limit and turns attractive at larger distances as retardation
becomes important. These highly surface specific interactions may have a role
to play in biological systems where the surface may be more or less accessible
to dissolved atoms.Comment: 5 pages, 6 figure
Casimir-Foucault interaction: Free energy and entropy at low temperature
It was recently found that thermodynamic anomalies which arise in the Casimir
effect between metals described by the Drude model can be attributed to the
interaction of fluctuating Foucault (or eddy) currents [Phys. Rev. Lett. 103,
130405 (2009)]. We show explicitly that the two leading terms of the
low-temperature correction to the Casimir free energy of interaction between
two plates, are identical to those pertaining to the Foucault current
interaction alone, up to a correction which is very small for good metals.
Moreover, a mode density along real frequencies is introduced, showing that the
Casimir free energy, as given by the Lifshitz theory, separates in a natural
manner in contributions from eddy currents and propagating cavity modes,
respectively. The latter have long been known to be of little importance to the
low-temperature Casimir anomalies. This convincingly demonstrates that eddy
current modes are responsible for the large temperature correction to the
Casimir effect between Drude metals, predicted by the Lifshitz theory, but not
observed in experiments.Comment: 10 pages, 1 figur
Reply to "Comment on 'Analytic and Numerical Verification of the Nernst Theorem for Metals'"
In this Reply to the preceding Comment of Klimchitskaya and Mostepanenko (cf.
also quant-ph/0703214), we summarize and maintain our position that the Drude
dispersion relation when inserted in the Lifshitz formula gives a
thermodynamically satisfactory description of the Casimir force, also in the
limiting case when the relaxation frequency goes to zero (perfect crystals).Comment: 4 pages, no figures; to appear in Phys. Rev.
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