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Traditional methods in quantum chemistry rely on Hartree-Fock-based Slater-determinant (SD) representations, whose underlying zeroth-order picture assumes separability by particle. Here, we explore a radically different approach, based on…
We investigate symmetric oscillators, and in particular their quantization, by employing semiclassical and quantum phase functions introduced in the context of Liouville-Green transformations of the Schr\"{o}dinger equation. For anharmonic…
Vector set orthogonal normalization and matrix QR decomposition are fundamental problems in matrix analysis with important applications in many fields. We know that Gram-Schmidt process is a widely used method to solve these two problems.…
We study a method of reducing space dimension in multi-dimensional Black-Scholes partial differential equations as well as in multi-dimensional parabolic equations. We prove that a multiplicative transformation of space variables in the…
The quantum search algorithm is a technique for searching N possibilities in only sqrt(N) steps. Although the algorithm itself is widely known, not so well known is the series of steps that first led to it, these are quite different from…
Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the underlying Hilbert space. This projection transforms the…
This paper is concerned with the efficient numerical computation of solutions to the 1D stationary Schr\"odinger equation in the semiclassical limit in the highly oscillatory regime. A previous approach to this problem based on explicitly…
In quantum circuits, qubits and the quantum gates acting on them have traditionally been analysed using matrix algebra and Dirac notation. While powerful, these can be unintuitive for conceptual understanding and rapid problem solving. In…
Starting from the Schr\"odinger-equation of a composite system, we derive unified dynamics of a classical harmonic system coupled to an arbitrary quantized system. The classical subsystem is described by random phase-space coordinates…
We show that nonlinear problems including nonlinear partial differential equations can be efficiently solved by variational quantum computing. We achieve this by utilizing multiple copies of variational quantum states to treat…
Improving the efficiency and accuracy of energy calculations has been of significant and continued interest in the area of materials informatics, a field that applies machine learning techniques to computational materials data. Here, we…
Quantum confinement is studied by numerically solving time-dependent Schr\"odinger equation. An imaginary-time evolution technique is employed in conjunction with the minimization of an expectation value, to reach the global minimum.…
While it seems possible that quantum computers may allow for algorithms offering a computational speed-up over classical algorithms for some problems, the issue is poorly understood. We explore this computational speed-up by investigating…
The introduction of nonlinearities in the Schr\"odinger equation has been considered in the literature as an effective manner to describe the action of external environments or mean fields. Here, in particular, we explore the nonlinear…
Quantum computers have the potential for an exponential speedup of classical molecular computations. However, existing algorithms have limitations; quantum phase estimation (QPE) algorithms are intractable on current hardware while…
We propose a simple quantum algorithm for simulating highly oscillatory quantum dynamics, which does not require complicated quantum control logic for handling time-ordering operators. To our knowledge, this is the first quantum algorithm…
We embed Nelson's stochastic quantization in the Schwartz-Meyer second order geometry framework. The result is a non-perturbative theory of quantum mechanics on (pseudo)-Riemannian manifolds. Within this approach, we derive stochastic…
This is an investigation of the limits of quantum circuit simulation with Schrodinger's formulation and low precision arithmetic. The goal is to estimate how much memory can be saved in simulations that involve random, maximally entangled…
We develop classical simulation algorithms for adaptive quantum circuits that produce states with low levels of ``magic'' (i.e., non-stabilizerness). These algorithms are particularly well-suited to circuits with high rates of Pauli…
We propose a hybrid quantum-classical algorithm for solving the time-independent Schr\"odinger equation for atomic and molecular collisions. The algorithm is based on the $S$-matrix version of the Kohn variational principle, which computes…