28,473 research outputs found
Optimal control of strong-field ionization with time-dependent density-functional theory
We show that quantum optimal control theory (OCT) and time-dependent
density-functional theory (TDDFT) can be combined to provide realistic
femtosecond laser pulses for an enhanced ionization yield in many-electron
systems. Using the H-molecule as a test case, the optimized laser pulse
from the numerically exact scheme is compared to pulses obtained from OCT+TDDFT
within the TD exact-exchange (TDEXX) and the TD local-density approximation
(TDLDA). We find that the TDDFT-pulses produces an ionization yield of up to
50% when applied to the exact system. In comparison, pulses with a single
frequency but the same fluence typically reach to yields around 5-15%, unless
the frequency is carefully tuned into a Fano-type resonance that leads to yield. On the other hand, optimization within the exact system alone leads
to yields higher than 80%, demonstrating that correlation effects beyond the
TDEXX and TDLDA can give rise to even more efficient ionization mechanisms
Measuring and engineering entropy and spin squeezing in weakly linked Bose-Einstein condensates
We propose a method to infer the single-particle entropy of bosonic atoms in
an optical lattice and to study the local evolution of entropy, spin squeezing,
and entropic inequalities for entanglement detection in such systems. This
method is based on experimentally feasible measurements of
non-nearest-neighbour coherences. We study a specific example of dynamically
controlling atom tunneling between selected sites and show that this could
potentially also improve the metrologically relevant spin squeezing
Enumerative aspects of the Gross-Siebert program
We present enumerative aspects of the Gross-Siebert program in this
introductory survey. After sketching the program's main themes and goals, we
review the basic definitions and results of logarithmic and tropical geometry.
We give examples and a proof for counting algebraic curves via tropical curves.
To illustrate an application of tropical geometry and the Gross-Siebert program
to mirror symmetry, we discuss the mirror symmetry of the projective plane.Comment: A version of these notes will appear as a chapter in an upcoming
Fields Institute volume. 81 page
Open shells in reduced-density-matrix-functional theory
Reduced-density-matrix-functional theory is applied to open-shell systems. We
introduce a spin-restricted formulation by appropriately expressing approximate
correlation-energy functionals in terms of spin-dependent occupation numbers
and spin-independent natural orbitals. We demonstrate that the additional
constraint of total-spin conservation is indispensable for the proper treatment
of open-shell systems. The formalism is applied to the first-row open-shell
atoms. The obtained ground-state energies are in very good agreement with the
exact values as well as other state of the art quantum chemistry calculationsComment: 4 pages, 2 figures, corrected typo
spl(2,1) dynamical supersymmetry and suppression of ferromagnetism in flat band double-exchange models
The low energy spectrum of the ferromagnetic Kondo lattice model on a N-site
complete graph extended with on-site repulsion is obtained from the underlying
spl(2,1) algebra properties in the strong coupling limit. The ferromagnetic
ground state is realized for 1 and N+1 electrons only. We identify the large
density of states to be responsible for the suppression of the ferromagnetic
state and argue that a similar situation is encountered in the Kagome,
pyrochlore, and other lattices with flat bands in their one-particle density of
states.Comment: 7 pages, 1 figur
Discontinuity of the chemical potential in reduced-density-matrix-functional theory
We present a novel method for calculating the fundamental gap. To this end,
reduced-density-matrix-functional theory is generalized to fractional particle
number. For each fixed particle number, , the total energy is minimized with
respect to the natural orbitals and their occupation numbers. This leads to a
function, , whose derivative with respect to the particle
number has a discontinuity identical to the gap. In contrast to density
functional theory, the energy minimum is generally not a stationary point of
the total-energy functional. Numerical results, presented for alkali atoms, the
LiH molecule, the periodic one-dimensional LiH chain, and solid Ne, are in
excellent agreement with CI calculations and/or experimental data.Comment: 9 pages, 3 figures, version as publishe
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