A semi-classical trace formula for Schrödinger operators

LetS _?=??Δ+V, withV smooth. If 0<E ²V(x), the spectrum ofS _? nearE ² consists (for ? small) of finitely-many eigenvalues,λ _j (?). We study the asymptotic distribution of these eigenvalues aboutE ² as ?→0; we obtain semi-classical asymptotics for $$\sum\limits_j {f\left( {\frac{{\sqrt {\lambda _j (\hbar )} - E}}{\hbar }} \right)} $$ with \(\hat f \in C_0^\infty \) , in terms of the periodic classical trajectories on the energy surface \(B_E = \left\{ {\left| \xi \right|^2 + V(x) = E^2 } \right\}\) . This in turn gives Weyl-type estimates for the counting function \(\# \left\{ {j;\left| {\sqrt {\lambda _j (\hbar )} - E} \right| \leqq c\hbar } \right\}\) . We make a detailed analysis of the case when the flow onB _E is periodic.     

General lower bounds for resonances in one dimension

Lower bounds are derived for the magnitude of the imaginary parts of the resonance eigenvalues of a Schrödinger operator $$ - \frac{{d^2 }}{{dx^2 }} + V(x)$$ on the line, depending only on the support and bounds ofV and on the real part of the resonance eigenvalue. For example, if the resonance eigenvalue is denotedE +i?, then there existC and ?₀ depending only on ‖E‖_∞ andE such that if the support ofV is contained in an interval of length ? > ?₀, then $$\left| \varepsilon \right| > \frac{{m^3 \sqrt E }}{{(m + \sqrt E )^2 }}\exp ( - m\ell )(1 - C\ell ^{ - 1} ),$$ wherem‖V(x)?E? _∞ ^1/2 .     

A Monte Carlo analysis of an SU(5) scalar model

Spontaneous symmetry breaking is studied in an SU(5) model of adjoint scalars with quartic couplings λ₁ (tr φ²)² + λ₂ trφ⁴ and with a negative mass term. The breaking for λ₂ > 0 is to SU(3)?SU(2)?U(1), and for λ₂ > 0 to SU(3)?SU(2)?U(1), in agreement with the standard tree-level analysis of the scalar potential.     

Large deviations and Lifshitz singularity of the integrated density of states of random Hamiltonians

We consider the integrated density of states (IDS) ρ_∞(λ) of random Hamiltonian H_ω=?Δ+V_ω, V_ω being a random field on ? ^d which satisfies a mixing condition. We prove that the probability of large fluctuations of the finite volume IDS |Λ|^?1ρ(λ, H_Λ(ω)), Λ ? ? ^d , around the thermodynamic limit ρ_∞(λ) is bounded from above by exp {?k|Λ|},k>0. In this case ρ_∞(λ) can be recovered from a variational principle. Furthermore we show the existence of a Lifshitztype of singularity of ρ_∞(λ) as λ → 0⁺ in the case where V_ω is non-negative. More precisely we prove the following bound: ρ_∞(λ)≦exp(?kλ^?d/2) as λ → 0⁺ k>0. This last result is then discussed in some examples.     

The local structure of the spectrum of the one-dimensional Schrödinger operator

Let \(H_V = - \frac{{d^{\text{2}} }}{{dt^{\text{2}} }} + q(t,\omega )\) be an one-dimensional random Schrödinger operator in ?²(?V,V) with the classical boundary conditions. The random potentialq(t, ω) has a formq(t, ω)=F(x _t ), wherex _t is a Brownian motion on the compact Riemannian manifoldK andF:K→R ¹ is a smooth Morse function, \(\mathop {\min }\limits_K F = 0\) . Let \(N_V (\Delta ) = \sum\limits_{Ei(V) \in \Delta } 1 \) , where Δ∈(0, ∞),E _i (V) are the eigenvalues ofH _V . The main result (Theorem 1) of this paper is the following. IfV→∞,E ₀>0,k∈Z ₊ anda>0 (a is a fixed constant) then $$P\left\{ {N_V \left( {E_0 - \frac{a}{{2V}},E_0 + \frac{a}{{2V}}} \right) = k} \right\}\xrightarrow[{V \to \infty }]{}e^{ - an(E_0 )} (an(E_0 ))^k |k!,$$ wheren(E ₀) is a limit state density ofH _V ,V→∞. This theorem mean that there is no repulsion between energy levels of the operatorH _V ,V→∞. The second result (Theorem 2) describes the phenomen of the repulsion of the corresponding wave functions.     

Floquet Hamiltonians with pure point spectrum

We consider Floquet Hamiltonians of the type $K_F : = - i\partial _t + H_0 + \beta V(\omega t)$ , whereH ₀, a selfadjoint operator acting in a Hilbert space ?, has simple discrete spectrumE ₁<E₂<... obeying a gap condition of the type inf {n ^?α(E _n+1?E_n); n=1, 2,...}>0 for a given α>0,t?V(t) is 2π-periodic andr times strongly continuously differentiable as a bounded operator on ?, ω and β are real parameters and the periodic boundary condition is imposed in time. We show, roughly, that providedr is large enough, β small enough and ω non-resonant, then the spectrum ofK _f is pure point. The method we use relies on a successive application of the adiabatic treatment due to Howland and the KAM-type iteration settled by Bellissard and extended by Combescure. Both tools are revisited, adjusted and at some points slightly simplified.     

An Inverse Problem for Trapping Point Resonances

We consider semi-classical Schrödinger operator P(h) = ? h ²Δ + V(x) in ${{\mathbb R}^n}$ such that the analytic potential V has a non-degenerate critical point x ₀ = 0 with critical value E ₀ and we can define resonances in some fixed neighborhood of E ₀ when h > 0 is small enough. If the eigenvalues of the Hessian are ${\mathbb Z}$ -independent the resonances in h ^δ-neighborhood of E ₀ (δ > 0) can be calculated explicitly as the eigenvalues of the semi-classical Birkhoff normal form. Assuming that potential is symmetric with respect to reflections about the coordinate axes we show that the classical Birkhoff normal form determines the Taylor series of the potential at x ₀. As a consequence, the resonances in a h ^δ-neighborhood of E ₀ determine the first N terms in the Taylor series of V at x ₀. The proof uses the recent inverse spectral results of V. Guillemin and A. Uribe.     

Semiclassical analysis of low lying elgenvalues. III. Width of the ground state band in strongly coupled solids

A smooth periodic potential, V, with one minima per unit cell, is considered. Let Δ(λ) be the width of the ground state band for ?Δ + λ²V. It is rigorously proved that lim_λ→∞ ? λ^?1 ln Δ(λ) is given by the minimum action among all instantons connecting two distinct minima of V.     

VSe2−xSx materials as battery cathode

The properties of the solid solution VSe_2?xS_x 0 ? x_nom ? 2 have been investigated for secondary battery application. The phase VSe₂ is observed for 0 ? x_nom ? 1.2 and the phase V₅S₈ is found using RX analysis for x_nom >1.2. The amount of lithium chemically incorporated in this structure by reaction with n-butyllithium is 2 Li/vanadium for 0 ? x_nom ? 0.8 and 1.4 Li/vanadium for V₅S₈. An electrochemical technique (galvanostatic) indicates that the amount of lithium incorporated depends on the x_nom values, the grain size and the discharge rate. The best results are obtained for 0.2 ? x_nom ? 0.6 (capacity = 164?172 Ah kg^?1 and energy density = 385?465 Wh kg^?1).     

Kotani theory for one dimensional stochastic Jacobi matrices

We consider families of operators,H _ω, on ?₂ given by (H _ω u)(n)=u(n+1)+u(n?1)+V _ω(n)u(n), whereV _ω is a stationary bounded ergodic sequence. We prove analogs of Kotani's results, including that for a.e. ω,σ_ac(H _ω) is the essential closure of the set ofE where γ(E) the Lyaponov index, vanishes and the result that ifV _ω is non-deterministic, then σ_ac is empty.     

Virasoro type Lie algebras and deformations

The first and second cohomologies of Cartan Type Lie algebras with coefficients in irreducible tensor modules are calculated. The spaceH ¹(L, U) is interpreted as a space of deformations of (L, U)-modules.H ²(L, L)≠0 ifL=S ₂,S ₂ ⁺ orL=H _n ,H _n ⁺ . Lie algebra of divergenceless vector fieldsS ₂ ⁺ has only one nontrivial local deformation. The two-sided simple hamiltonian algebraH _n has 2n ²+n new local deformations in addition to Moyal cocycle. The Lie algebrasL=W _n (n>3),S _n?1(n>2),H _n (n>1),K _n+1(n>1) have 3, 1, 1, 3 nonisomorphic tensor modules with irreducible bases and nonzero 1-cohomologies; respectively, the corresponding numbers for 2-cohomologies are 9, 6, 7 and 9.     

Experimental and theoretical spectroscopic studies of ortho derivatives of methyl p-dimethylaminobenzoate

Steady-state spectroscopic studies of two ortho (-OCH₃ and -OH) derivatives of methyl p-dimethylaminobenzoate have been performed. The absorption spectra of molecules under study are analyzed taking into consideration results of quantum chemical semiempirical calculations. The fluorescence spectra of these molecules possess in polar solvents two bands, i.e., the locally excited and intramolecular charge transfer (ICT) fluorescence band. Their intensity ratio as well as the fluorescence/phosphorescence intensity ratio determined at 77 K depends on the solvent polarity. Theoretical studies of the TICT phenomenon have been made in order to explain the dual emission of molecules under study. Calculated electric dipole moments of these molecules in the ground, S₀, and excited, S₁(LE) and S₁(ICT) states, have been compared with experimentally determined data. Theoretically determined transition energies, ΔE_i, oscillator strengths, f_i, and electric dipole moments μ_S0, μ_S1(LE) and μ_S1(ICT) of the planar donor-acceptor (D/A) conformer agree with experimental data. According to Marcus theory inner- and outer-solvatation sphere reorganization energies (λ_out, λ_in) are calculated using the determined spectroscopic properties of molecules under study.     

Universal lower bounds on eigenvalue splittings for one dimensional Schrödinger operators

We provide lower bounds on the eigenvalue splitting for ?d ²/dx ²+V(x) depending only on qualitative properties ofV. For example, ifV is C^∝ on [a, b] andE _n ,E _n?1 are two successive eigenvalues of ?d ²/dx ²+V withu(a)=u(b)=0 boundary conditions, and if \(\lambda = \mathop {\max }\limits_{E \in (E_{n - 1} ,E_n );x \in (a,b)} |E - V(x)|^{1/2} \) , then $$E_n - E_{n - 1} \geqq \pi \lambda ^2 \exp \left[ { - \lambda (b - a)} \right]$$ . The exponential factor in such bounds are saturated precisely in tunneling examples. Our results arenot restricted toV's of compact support, but only require \(E_n< \mathop {\lim }\limits_{\overline {x \to \infty } } V(x)\) .     

The generalized exponential-integral V(x,y)=∫1∞ exp(−xt)ln(t+y)dtt and computer algorithms for y = 0, 1

The generalized exponential-integral function V(x, y) defined here includes as special cases the function E⁽²⁾₁(x) = V(x, 0) introduced by van de Hulst and functions M₀(x) = V(x, 1) and N₀(x) = V(x, -1) introduced by Kourganoff in connection with integrals of the form ∫ E_n)t)E_m(t±x), which play an important role in the theory of monochromatic radiative transfer. Series and asymptotic expressions are derived and, for the most important special cases, y = 0 and y = 1, Chebyshev expansions and rational approximations are obtained that permit the function to be evaluated to at least 10 sf on 0<x<∞ using 16 sf arithmetic.     

Diffusion Effects on the Breakdown of a Linear Amplifier Model Driven by the Square of a Gaussian Field

We investigate solutions to the equation ? _t ?? $\mathcal{D}$ Δ?=λS ²?, where S(x, t) is a Gaussian stochastic field with covariance C(x?x′, t, t′), and x∈ $\mathbb{R}$ ^d . It is shown that the coupling λ _cN (t) at which the N-th moment <? ^N (x, t)> diverges at time t, is always less or equal for $\mathcal{D}$ >0 than for $\mathcal{D}$ =0. Equality holds under some reasonable assumptions on C and, in this case, λ _cN (t)=Nλ _c (t) where λ _c (t) is the value of λ at which <exp[λ ∫ ^t ₀ S ²(0, s) ds]> diverges. The $\mathcal{D}$ =0 case is solved for a class of S. The dependence of λ _cN (t) on d is analyzed. Similar behavior is conjectured when diffusion is replaced by diffraction, $\mathcal{D}$ →i $\mathcal{D}$ , the case of interest for backscattering instabilities in laser-plasma interaction.     

Absence of Negative Energy Spectrum for N-Particle Hamiltonians

We consider the spectrum of the quantum Hamiltonian H for a system of N one-dimensional particles. H is given by $H = \sum\nolimits_{i = 1}^n { - \frac{1}{{2m_i }}\frac{{\partial ^2 }}{{\partial x_i^2 }}} + \sum {_{1 \leqslant i < j \leqslant N} } V_{ij} \left( {x_i - x_j } \right)$ acting in L ²(R ^N ). We assume that each pair potential is a sum of a hard core for |x|≤a, a>0, and a function V _ij (x), |x|>a, with $\smallint _a^\infty \left| {x - a} \right|\left| {V_{ij} \left( x \right)} \right|dx < \infty $ . We give conditions on V ^? _ij (x), the negative part of V _ij (x), which imply that H has no negative energy spectrum for all N. For example, this is the case if V ^? _ij (x) has finite range 2a and $$2m_i \smallint _a^{2a} \left| {x - a} \right|\left| {V_{ij}^ - \left( x \right)} \right|dx < 1.$$ If V ^? _ij is not necessarily small we also obtain a thermodynamic stability bound inf?σ(H)≥?cN, where 0<c<∞, is an N-independent constant.     

Extremal Theory for Spectrum of Random Discrete Schrödinger Operator. II. Distributions with Heavy Tails

We study the asymptotic structure of the first K largest eigenvalues λ _k,V and the corresponding eigenfunctions ψ(?;λ _k,V ) of a finite-volume Anderson model (discrete Schrödinger operator) \(\mathcal{H}_{V}= \kappa \Delta_{V}+\xi(\cdot)\) on the multidimensional lattice torus V increasing to the whole of lattice ? ^ν , provided the distribution function F(?) of i.i.d. potential ξ(?) satisfies condition ?log(1?F(t))=o(t ³) and some additional regularity conditions as t→∞. For z∈V, denote by λ ⁰(z) the principal eigenvalue of the “single-peak” Hamiltonian κΔ _V +ξ(z)δ _z in l ²(V), and let \(\lambda^{0}_{k,V}\) be the kth largest value of the sample λ ⁰(?) in V. We first show that the eigenvalues λ _k,V are asymptotically close to \(\lambda^{0}_{k,V}\). We then prove extremal type limit theorems (i.e., Poisson statistics) for the normalized eigenvalues (λ _k,V ?B _V )a _V , where the normalizing constants a _V >0 and B _V are chosen the same as in the corresponding limit theorems for \(\lambda^{0}_{k,V}\). The eigenfunction ψ(?;λ _k,V ) is shown to be asymptotically completely localized (as V↑?) at the sites z _k,V ∈V defined by \(\lambda^{0}(z_{k,V})=\lambda^{0}_{k,V}\). Proofs are based on the finite-rank (in particular, rank one) perturbation arguments for discrete Schrödinger operator when potential peaks are sparse.     

A Markovian Growth Dynamics on Rooted Binary Trees Evolving According to the Gompertz Curve

Inspired by biological dynamics, we consider a growth Markov process taking values on the space of rooted binary trees, similar to the Aldous-Shields (Probab. Theory Relat. Fields 79(4):509?C542, 1988) model. Fix n??1 and ??>0. We start at time 0 with the tree composed of a root only. At any time, each node with no descendants, independently from the other nodes, produces two successors at rate ??(n?k)/n, where k is the distance from the node to the root. Denote by Z _n (t) the number of nodes with no descendants at time t and let T _n =?? ^?1 nln(n/ln4)+(ln2)/(2??). We prove that 2^?n Z _n (T _n +n??), ?????, converges to the Gompertz curve exp(?(ln2)?e ^??|? ). We also prove a central limit theorem for the martingale associated to Z _n (t).     

A Second Eigenvalue Bound for the Dirichlet Schrödinger Operator

Let λ _i (Ω,V) be the i ^th eigenvalue of the Schrödinger operator with Dirichlet boundary conditions on a bounded domain $\Omega \subset \mathbb{R}^nLet λ _i (Ω,V) be the i ^th eigenvalue of the Schr?dinger operator with Dirichlet boundary conditions on a bounded domain and with the positive potential V. Following the spirit of the Payne-Pólya-Weinberger conjecture and under some convexity assumptions on the spherically rearranged potential V _*, we prove that λ₂(Ω,V) ≤ λ₂(S ₁,V _*). Here S ₁ denotes the ball, centered at the origin, that satisfies the condition λ₁(Ω,V)=λ₁(S ₁,V _*).Further we prove under the same convexity assumptions on a spherically symmetric potential V, that λ₂(B _R , V) / λ₁(B _R , V) decreases when the radius R of the ball B _R increases.We conclude with several results about the first two eigenvalues of the Laplace operator with respect to a measure of Gaussian or inverted Gaussian density.R.B. was supported by FONDECYT project # 102-0844.H.L. gratefully acknowledges financial support from DIPUC of the Pontifí cia Universidad Católica de Chile and from CONICYT.     

On a Semiclassical Formula for Non-Diagonal Matrix Elements

Let H(?)=?? ²d²/dx ²+V(x) be a Schrödinger operator on the real line, W(x) be a bounded observable depending only on the coordinate and k be a fixed integer. Suppose that an energy level E intersects the potential V(x) in exactly two turning points and lies below V _∞=lim?inf?_|x|→∞ V(x). We consider the semiclassical limit n→∞, ?=? _n →0 and E _n =E where E _n is the nth eigenenergy of H(?). An asymptotic formula for 〈n|W(x)|n+k〉, the non-diagonal matrix elements of W(x) in the eigenbasis of H(?), has been known in the theoretical physics for a long time. Here it is proved in a mathematically rigorous manner.