Related papers: Computing Classical Orbital Elements with Improved…
Rendering on conventional computers is capable of generating realistic imagery, but the computational complexity of these light transport algorithms is a limiting factor of image synthesis. Quantum computers have the potential to…
We modify the pre-factor of the semiclassical propagator to improve its efficiency in practical implementations. The new pre-factor represents the smooth portion of an orbit's contribution, and leads to fast convergence in numerical…
The paper presents investigations on the implementation and performance of the finite element numerical integration algorithm for first order approximations and three processor architectures, popular in scientific computing, classical CPU,…
Quantum computers promise to perform certain computations exponentially faster than any classical device. Precise control over their physical implementation and proper shielding from unwanted interactions with the environment become more…
Evaluating multi-center molecular integrals with Cartesian Gaussian-type basis sets has been a long-standing bottleneck in electronic structure theory calculation for solids and molecules. We have developed a vector-coupling and…
Gutzwiller's trace formula for the semiclassical density of states diverges at the bifurcation points of periodic orbits and has to be replaced with uniform semiclassical approximations. We present a method to derive these expressions from…
Quantum computers are gaining importance in various applications like quantum machine learning and quantum signal processing. These applications face significant challenges in loading classical datasets into quantum memory. With numerous…
This work presents a novel approach to distribute orbitals into subspaces within electron-pairing-based natural orbital functionals (NOFs). This approach modifies the coupling between weakly and strongly occupied orbitals by applying an…
Combining quantum computers with classical compute power has become a standard means for developing algorithms that are eventually supposed to beat any purely classical alternatives. While in-principle advantages for solution quality or…
Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…
Spatially localized one-electron orbitals, orthogonal and nonorthogonal, are widely used in electronic structure theory to describe chemical bonding and speed up calculations. In order to avoid linear dependencies of localized orbitals, the…
It is attempted to obtain the masses of the celestial bodies, the initial conditions of their motion, and the constant of gravitation, by a global parameter optimization. First, a numerical solution of the N-bodies problem for mass points…
Optimizing high-degree of freedom robotic manipulators requires searching complex, high-dimensional configuration spaces, a task that is computationally challenging for classical methods. This paper introduces a quantum native framework…
Inertial navigation applications are usually referenced to a rotating frame. Consideration of the navigation reference frame rotation in the inertial navigation algorithm design is an important but so far less seriously treated issue,…
A moment approach for orbit determinations of astrometric binaries from astrometric observations alone has been recently studied for a low signal-to-noise ratio (Iwama et al. 2013, PASJ, 65, 2). With avoiding a direct use of the…
We present a class of nonconforming virtual element methods for general fourth order partial differential equations in two dimensions. We develop a generic approach for constructing the necessary projection operators and virtual element…
As the use of spectral/$hp$ element methods, and high-order finite element methods in general, continues to spread, community efforts to create efficient, optimized algorithms associated with fundamental high-order operations have grown.…
Harmonic inversion is introduced as a powerful tool for both the analysis of quantum spectra and semiclassical periodic orbit quantization. The method allows to circumvent the uncertainty principle of the conventional Fourier transform and…
We propose a hybrid quantum-classical algorithm for approximating the ground state and ground state energy of a Hamiltonian. Once the Ansatz has been decided, the quantum part of the algorithm involves the calculation of two overlap…
The current state of quantum computing is commonly described as the Noisy Intermediate-Scale Quantum era. Available computers contain a few dozens of qubits and can perform a few dozens of operations before the inevitable noise erases all…