scholarly journals Lower bounds to eigenvalues of the Schrödinger equation by solution of a 90-y challenge

2020 ◽  
Vol 117 (28) ◽  
pp. 16181-16186
Author(s):  
Rocco Martinazzo ◽  
Eli Pollak

The Ritz upper bound to eigenvalues of Hermitian operators is essential for many applications in science. It is a staple of quantum chemistry and physics computations. The lower bound devised by Temple in 1928 [G. Temple,Proc. R. Soc. A Math. Phys. Eng. Sci.119, 276–293 (1928)] is not, since it converges too slowly. The need for a good lower-bound theorem and algorithm cannot be overstated, since an upper bound alone is not sufficient for determining differences between eigenvalues such as tunneling splittings and spectral features. In this paper, after 90 y, we derive a generalization and improvement of Temple’s lower bound. Numerical examples based on implementation of the Lanczos tridiagonalization are provided for nontrivial lattice model Hamiltonians, exemplifying convergence over a range of 13 orders of magnitude. This lower bound is typically at least one order of magnitude better than Temple’s result. Its rate of convergence is comparable to that of the Ritz upper bound. It is not limited to ground states. These results complement Ritz’s upper bound and may turn the computation of lower bounds into a staple of eigenvalue and spectral problems in physics and chemistry.

Algorithmica ◽  
2021 ◽  
Author(s):  
Seungbum Jo ◽  
Rahul Lingala ◽  
Srinivasa Rao Satti

AbstractWe consider the problem of encoding two-dimensional arrays, whose elements come from a total order, for answering $${\text{Top-}}{k}$$ Top- k queries. The aim is to obtain encodings that use space close to the information-theoretic lower bound, which can be constructed efficiently. For an $$m \times n$$ m × n array, with $$m \le n$$ m ≤ n , we first propose an encoding for answering 1-sided $${\textsf {Top}}{\text {-}}k{}$$ Top - k queries, whose query range is restricted to $$[1 \dots m][1 \dots a]$$ [ 1 ⋯ m ] [ 1 ⋯ a ] , for $$1 \le a \le n$$ 1 ≤ a ≤ n . Next, we propose an encoding for answering for the general (4-sided) $${\textsf {Top}}{\text {-}}k{}$$ Top - k queries that takes $$(m\lg {{(k+1)n \atopwithdelims ()n}}+2nm(m-1)+o(n))$$ ( m lg ( k + 1 ) n n + 2 n m ( m - 1 ) + o ( n ) ) bits, which generalizes the joint Cartesian tree of Golin et al. [TCS 2016]. Compared with trivial $$O(nm\lg {n})$$ O ( n m lg n ) -bit encoding, our encoding takes less space when $$m = o(\lg {n})$$ m = o ( lg n ) . In addition to the upper bound results for the encodings, we also give lower bounds on encodings for answering 1 and 4-sided $${\textsf {Top}}{\text {-}}k{}$$ Top - k queries, which show that our upper bound results are almost optimal.


10.37236/3097 ◽  
2013 ◽  
Vol 20 (2) ◽  
Author(s):  
Fateme Raei Barandagh ◽  
Amir Rahnamai Barghi

Let $n>1$ be an integer and $p$ be a prime number. Denote by $\mathfrak{C}_{p^n}$ the class of non-thin association $p$-schemes of degree $p^n$. A sharp upper and lower bounds on the rank of schemes in $\mathfrak{C}_{p^n}$ with a certain order of thin radical are obtained. Moreover, all schemes in this class whose rank are equal to the lower bound are characterized and some schemes in this class whose rank are equal to the upper bound are constructed. Finally, it is shown that the scheme with minimum rank in $\mathfrak{C}_{p^n}$ is unique up to isomorphism, and it is a fusion of any association $p$-schemes with degree $p^n$.


2007 ◽  
Vol 7 (1) ◽  
pp. 151-167 ◽  
Author(s):  
Dmitri B. Strukov ◽  
Konstantin K. Likharev

We have calculated the maximum useful bit density that may be achieved by the synergy of bad bit exclusion and advanced (BCH) error correcting codes in prospective crossbar nanoelectronic memories, as a function of defective memory cell fraction. While our calculations are based on a particular ("CMOL") memory topology, with naturally segmented nanowires and an area-distributed nano/CMOS interface, for realistic parameters our results are also applicable to "global" crossbar memories with peripheral interfaces. The results indicate that the crossbar memories with a nano/CMOS pitch ratio close to 1/3 (which is typical for the current, initial stage of the nanoelectronics development) may overcome purely semiconductor memories in useful bit density if the fraction of nanodevice defects (stuck-on-faults) is below ∼15%, even under rather tough, 30 ns upper bound on the total access time. Moreover, as the technology matures, and the pitch ratio approaches an order of magnitude, the crossbar memories may be far superior to the densest semiconductor memories by providing, e.g., a 1 Tbit/cm2 density even for a plausible defect fraction of 2%. These highly encouraging results are much better than those reported in literature earlier, including our own early work, mostly due to more advanced error correcting codes.


2017 ◽  
Vol 7 (2) ◽  
pp. 169-181
Author(s):  
Audra McMillan ◽  
Adam Smith

Abstract Block graphons (also called stochastic block models) are an important and widely studied class of models for random networks. We provide a lower bound on the accuracy of estimators for block graphons with a large number of blocks. We show that, given only the number $k$ of blocks and an upper bound $\rho$ on the values (connection probabilities) of the graphon, every estimator incurs error ${\it{\Omega}}\left(\min\left(\rho, \sqrt{\frac{\rho k^2}{n^2}}\right)\right)$ in the $\delta_2$ metric with constant probability for at least some graphons. In particular, our bound rules out any non-trivial estimation (that is, with $\delta_2$ error substantially less than $\rho$) when $k\geq n\sqrt{\rho}$. Combined with previous upper and lower bounds, our results characterize, up to logarithmic terms, the accuracy of graphon estimation in the $\delta_2$ metric. A similar lower bound to ours was obtained independently by Klopp et al.


1949 ◽  
Vol 14 (1) ◽  
pp. 9-15 ◽  
Author(s):  
Frederic B. Fitch

A demonstrably consistent theory of real numbers has been outlined by the writer in An extension of basic logic1 (hereafter referred to as EBL). This theory deals with non-negative real numbers, but it could be easily modified to deal with negative real numbers also. It was shown that the theory was adequate for proving a form of the fundamental theorem on least upper bounds and greatest lower bounds. More precisely, the following results were obtained in the terminology of EBL: If С is a class of U-reals and is completely represented in Κ′ and if some U-real is an upper bound of С, then there is a U-real which is a least upper bound of С. If D is a class of (U-reals and is completely represented in Κ′, then there is a U-real which is a greatest lower bound of D.


2014 ◽  
Vol 25 (07) ◽  
pp. 877-896 ◽  
Author(s):  
MARTIN KUTRIB ◽  
ANDREAS MALCHER ◽  
MATTHIAS WENDLANDT

We investigate the descriptional complexity of deterministic one-way multi-head finite automata accepting unary languages. It is known that in this case the languages accepted are regular. Thus, we study the increase of the number of states when an n-state k-head finite automaton is simulated by a classical (one-head) deterministic or nondeterministic finite automaton. In the former case upper and lower bounds that are tight in the order of magnitude are shown. For the latter case we obtain an upper bound of O(n2k) and a lower bound of Ω(nk) states. We investigate also the costs for the conversion of one-head nondeterministic finite automata to deterministic k-head finite automata, that is, we trade nondeterminism for heads. In addition, we study how the conversion costs vary in the special case of finite and, in particular, of singleton unary lanuages. Finally, as an application of the simulation results, we show that decidability problems for unary deterministic k-head finite automata such as emptiness or equivalence are LOGSPACE-complete.


2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
Tarald O. Kvålseth

As measures of interobserver agreement for both nominal and ordinal categories, Cohen’s kappa coefficients appear to be the most widely used with simple and meaningful interpretations. However, for negative coefficient values when (the probability of) observed disagreement exceeds chance-expected disagreement, no fixed lower bounds exist for the kappa coefficients and their interpretations are no longer meaningful and may be entirely misleading. In this paper, alternative measures of disagreement (or negative agreement) are proposed as simple corrections or modifications of Cohen’s kappa coefficients. The new coefficients have a fixed lower bound of −1 that can be attained irrespective of the marginal distributions. A coefficient is formulated for the case when the classification categories are nominal and a weighted coefficient is proposed for ordinal categories. Besides coefficients for the overall disagreement across categories, disagreement coefficients for individual categories are presented. Statistical inference procedures are developed and numerical examples are provided.


2001 ◽  
Vol 11 (04) ◽  
pp. 401-421 ◽  
Author(s):  
ALEJANDRO LÓPEZ-ORTIZ ◽  
SVEN SCHUIERER

We present lower bounds for on-line searching problems in two special classes of simple polygons called streets and generalized streets. In streets we assume that the location of the target is known to the robot in advance and prove a lower bound of [Formula: see text] on the competitive ratio of any deterministic search strategy—which can be shown to be tight. For generalized streets we show that if the location of the target is not known, then there is a class of orthogonal generalized streets for which the competitive ratio of any search strategy is at least [Formula: see text] in the L2-metric—again matching the competitive ratio of the best known algorithm. We also show that if the location of the target is known, then the competitive ratio for searching in generalized streets in the L1-metric is at least 9 which is tight as well. The former result is based on a lower bound on the average competitive ratio of searching on the real line if an upper bound of D to the target is given. We show that in this case the average competitive ratio is at least 9-O(1/ log D).


2021 ◽  
Vol 13 (5) ◽  
pp. 1
Author(s):  
Liao Ping

In this paper, we get a lower bound of the smallest singular value of an arbitrarily matrix A by the trace of H(A) and the Euclidean norm of H(A), where H(A) is Hermitian part of A, numerical examples show the e ectiveness of our results.


1975 ◽  
Vol 12 (04) ◽  
pp. 824-830
Author(s):  
Arthur H. C. Chan

Let W (s, t), s, t ≧ 0, be the two-parameter Yeh–Wiener process defined on the first quadrant of the plane, that is, a Gaussian process with independent increments in both directions. In this paper, a lower bound for the distribution of the supremum of W (s, t) over a rectangular region [0, S]×[0, T], for S, T > 0, is given. An upper bound for the same was known earlier, while its exact distribution is still unknown.


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