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S. Krishnamoorthy

Publications and source records attributed to S. Krishnamoorthy.

5 recordsLinked to original sources

On the vanishing of coefficients of $\eta^{26}

J.-P. Serre, in his paper [1], established a sufficient condition on $n$ for the $n$-th coefficient of the series $\eta^{26}$ to vanish. However, the question that whether this is a necessary condition remained unanswered. In this paper, using the theory of Hecke eigenforms explored by Serre, we prove some partial cases for the converse part.

math.NT

Congruence classes for modular forms over small sets

J.P. Serre showed that for any integer $m,~a(n)\equiv 0 \pmod m$ for almost all $n,$ where $a(n)$ is the $n^{\text{th}}$ Fourier coefficient of any modular form with rational coefficients. In this article, we consider a certain class of cuspforms and study $\#\{a(n) \pmod m\}_{n\leq x}$ over the set of integers with $O(1)$ many prime factors. Moreover, we show that any residue class $a\in \mathbb{Z}/m\mathbb{Z}$ can be written as the sum of at most thirteen Fourier coefficients, which are polynomially bounded as a function of $m.$

math.NT

Resistance distance in connected balanced digraphs

Let $D = (V, E)$ be a strongly connected and balanced digraph with vertex set $V$ and arc set $E.$ The classical distance $d_{ij}^D$ from $i$ to $j$ in $D$ is the length of a shortest directed path from $i$ to $j$ in $D.$ Let $L$ be the Laplacian matrix of $D$ and $ L^{\dagger} = ( l_{ij}^{\dagger} )$ be the Moore-Penrose inverse of $L.$ The resistance distance from $i$ to $j$ is then defined by $r_{ij}^D := l_{ii}^{\dagger } + l_{jj}^{\dagger } - 2 l_{ij}^{\dagger }.$ Let $\{ D_1, D_2, ...., D_k \}$ be a sequence of strongly connected balanced digraphs with $D_i \cap D_j$ having at most one vertex in common for all $i \neq j$ and with $r_{ij}^{D_t} \leq d_{ij}^{D_t} \ \forall \ t = 1 \ \mathrm{to} \ k.$ Let $\mathcal{C}$ be a collection of connected, balanced digraphs, each member of which is a finite union of the form $D_1 \cup D_2 \cup ....\cup D_k$ where each $D_i$ is a connected and balanced digraph with $D_{i} \cap ( D_1 \cup D_2 \cup ....\cup D_{i-1} )$ being a single vertex, for all $i,$ $1 < i \leq k.$ In this paper, we show that for any digraph $D$ in $\mathcal{C}$, $r_{ij}^D \leq d_{ij}^D \ (*)$. This is established by partitioning the Laplacian matrix of $D$. This generalizes the main result in [3]. As a corollary, we deduce a simpler proof of the result in [3], namely, that for any directed cactus $D$, the inequality (*) holds. Our results provide an affirmative answer to a well known interesting conjecture ( cf : Conjecture 1.3 ).

math.CO

Towards quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states

This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shells. These states have been intensively studied over the last few decades especially in supporting the experimental effort at light sources. Results obtained with the QPE are compared with various high-accuracy many-body techniques developed to describe core-level states. The feasibility of the quantum phase estimator in identifying classes of challenging shake-up states characterized by the presence of higher-order excitation effects is also discussed.

quant-ph

NWChem: Past, Present, and Future

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principledriven methodologies to model complex chemical and materials processes. Over the last few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach and outlook.

physics.chem-ph