Zobrazeno 1 - 10
of 717
pro vyhledávání: '"Alavi Ali"'
Autor:
Simula, Kristoffer, Christlmaier, Evelin Martine Corvid, Filip, Maria-Andreea, Haupt, J. Philip, Kats, Daniel, Lopez-Rios, Pablo, Alavi, Ali
The transcorrelated (TC) method performs a similarity transformation on the electronic Schr\"odinger equation via Jastrow factorization of the wave function. This has demonstrated significant advancements in computational electronic structure theory
Externí odkaz:
http://arxiv.org/abs/2412.05885
Autor:
Filip, Maria-Andreea, Ríos, Pablo López, Haupt, J. Philip, Christlmaier, Evelin Martine Corvid, Kats, Daniel, Alavi, Ali
We explore the applicability of the transcorrelated method to the elements in the second row of the periodic table. We use transcorrelated Hamiltonians in conjunction with full configuration interaction quantum Monte Carlo and coupled cluster techniq
Externí odkaz:
http://arxiv.org/abs/2411.03175
Publikováno v:
Soshum: Jurnal Sosial dan Humaniora, Vol 10, Iss 2, Pp 122-135 (2020)
This paper has an objective to analyze the role of socio-culture in the tourism sector by posing a central question: how does social capital attract tourists in Bali province? The study uses qualitative approach by collecting data through observation
Externí odkaz:
https://doaj.org/article/29843dd2a4c64c4b9a751fb3aed47f5e
Autor:
Lavroff, Robert H., Kats, Daniel, Maschio, Lorenzo, Bogdanov, Nikolay A., Alavi, Ali, Alexandrova, Anastassia N., Usvyat, Denis
To date, computational methods for modeling defects (vacancies, adsorbates, etc.) rely on periodic supercells in which the defect is far enough from its repeated image such that they can be assumed non-interacting. Yet, the relative proximity and per
Externí odkaz:
http://arxiv.org/abs/2406.03373
Publikováno v:
Faraday Discussions, 2024
We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of the transcorrelated Hamiltonian.
Externí odkaz:
http://arxiv.org/abs/2404.07764
We explore the application of an extrapolative method that yields very accurate total and relative energies from variational and diffusion quantum Monte Carlo (VMC and DMC) results. For a trial wave function consisting of a small configuration intera
Externí odkaz:
http://arxiv.org/abs/2403.00649
Autor:
Christlmaier, Evelin Martine, Schraivogel, Thomas, Ríos, Pablo López, Alavi, Ali, Kats, Daniel
An efficient implementation for approximate inclusion of the three-body operator arising in transcorrelated methods via exclusion of explicit three-body components (xTC) is presented and tested against results in the "HEAT" benchmark set [A. Tajti et
Externí odkaz:
http://arxiv.org/abs/2304.07006
Autor:
Schraivogel, Thomas, Christlmaier, Evelin Martine, Ríos, Pablo López, Alavi, Ali, Kats, Daniel
We demonstrate the accuracy of ground-state energies of the transcorrelated Hamiltonian, employing sophisticated Jastrow factors obtained from variational Monte Carlo, together with the coupled cluster and distinguishable cluster methods at the level
Externí odkaz:
http://arxiv.org/abs/2303.12903
Autor:
Dobrautz, Werner, Sokolov, Igor O., Liao, Ke, Ríos, Pablo López, Rahm, Martin, Alavi, Ali, Tavernelli, Ivano
Quantum computing is emerging as a new computational paradigm with the potential to transform several research fields, including quantum chemistry. However, current hardware limitations (including limited coherence times, gate infidelities, and limit
Externí odkaz:
http://arxiv.org/abs/2303.02007