More than 30,000 papers are published each year
in which modern density functional calculations are performed.
However, there is presently no systematic route to finding useful
approximations. Over 40 years ago, Lieb and Simon demonstrated
that the original version of density functional theory, Thomas-Fermi
theory, becomes relatively exact in a very particular
non-relativistic limit of large electron number. I will explain why I believe this
holds the key to a systematic treatment of such approximations, and
what my group has done in the last 8 years to use this insight.
There are many examples in mathematics, both pure and applied, in which
problems with symmetric formulations have non-symmetric solutions.
Sometimes this symmetry breaking is total, as in the example of
turbulence, but often the symmetry breaking is only partial. One technique
that can sometimes be used to constrain the symmetry breaking is
reflection positivity. It is a simple and useful concept that will be
explained in the talk, together with some examples. One of these concerns
the minimum eigenvalues of the Laplace operator on a distorted hexagonal
lattice. Another example that we will discuss is a functional inequality
due to Onofri.
The talk is based on joint work with E. Lieb.
I will discuss the properties of discrete random Schrödinger operators in which the random part of the potential is supported on a sublattice. For the standard Anderson model, no results concerning localization/delocalization transition are rigorously established. For trimmed Anderson model described above, one can trace out the onset of the localization breakup, in the strong disorder regime (for some examples). This is a joint work with Sasha Sodin.
Abstract:
We consider decaying oscillatory perturbations of periodic Schr\"odinger
operators on the half line. More precisely, the perturbations we study
satisfy a generalized bounded variation condition at infinity and an $L^p$
decay condition. We show that the absolutely continuous spectrum is
preserved, and give bounds on the Hausdorff dimension of the singular part
of the resulting perturbed measure. Under additional assumptions, we
instead show that the singular part embedded in the essential spectrum is
contained in an explicit countable set. Finally, we demonstrate that this
explicit countable set is optimal. That is, for every point in this set
there is an open and dense class of periodic Schr\"odinger operators for
which an appropriate perturbation will result in the spectrum having an
embedded eigenvalue at that point.
The classical Lieb-Robinson bounds provide control over the speed of
propagation in quantum spin systems. In analogy to relativistic systems,
they establish a ``light cone'' $x \leq vt$ outside of which commutators
of initially localized observables are exponentially small. We consider an
XY spin chain in a quasiperiodic magnetic field and prove a new anomalous
Lieb-Robinson bound which features the modified light cone $x \leq
vt^\alpha$ for some $0<\alpha<1$. In fact, we can characterize $\alpha$
exactly as the upper transport exponent of a one-body Schr\"odinger
operator. This may be interpreted as a rigorous proof of anomalous quantum
many-body transport. Joint work with David Damanik, Milivoje Lukic and
William Yessen.
A classical result of Khinchin says that for almost all real numbers α, the geometric mean of the first n digits ai(α) in the continued fraction expansion of α converges to a number K ≈ 2.6854520 . . . (Khinchin’s constant) as n → ∞. On the other hand, for almost all α, the arithmetic mean of the first n continued fraction digits ai(α) approaches infinity as n → ∞. There is a sequence of refinements of the AM-GM inequality, known as Maclaurin’s inequalities, relating the 1/kthpowers of the kth elementary symmetric means of n numbers for 1 ≤ k ≤ n. On the left end (when k = n) we have the geometric mean, and on the right end (k = 1) we have the arithmetic mean. We analyze what happens to the means of continued fraction digits of a typical real number in the limit as one moves f (n) steps away from either extreme. We also study the limiting behavior of such means for quadratic irrational α.
(Joint work with Francesco Cellarosi, Doug Hensley and Steven J. Miller)
For discrete Schrödinger operators with potential given by a trigonometric polynomial of cosines (called generalized Harper's model), we use the complexified Lyapunov exponent to prove a criterion for subcritical energies in the spectrum and a criterion for supercritical energies. This work was done through the Caltech SURF program, with mentor Christoph Marx.