Results 21 to 30 of about 14,029,580 (306)
Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules
Entropy, 2020 We present a hybrid quantum-classical neural network that can be trained to perform electronic structure calculation and generate potential energy curves of simple molecules.
Rongxin Xia, Sabre Kais
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Small hydropower development potential in the Densu River Basin, Ghana
Journal of Hydrology: Regional Studies, 2023 The study investigated potential sites for the development of Small Hydropower Systems (SHP) to augment the existing energy supply in the UDRB. Remote sensing and the Soil and Water Assessment Tool (SWAT) were employed to generate and simulate basin ...
Benjamin Ewuley Yankey +6 more
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High Accuracy, ab initio Potential Energy Curves and Dipole Moment Functions for the X1Σ+ and a3Π Spin States of the CF+ Diatomic Molecule [PDF]
, 2023 Potential energy curves and dipole moment functions constructed using high accuracy, ab initio methods allow for an in-depth examination of the electronic structure of diatomic molecules. ab initio methods are invaluable especially for molecules that are
Robert, Hinde, Gavin, McCarver
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The experience curve effect on renewable energy penetration [PDF]
, 2010 The experience curve effect has always challenged technology-related decisions. In the electricity sector, new renewable electricity generation technologies have shown a considerably high learning rate up to now, which could differentiate the ...
Tolis, A. +2 more
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Theoretical study with dipole moment calculation of new electronic states of the molecule BF
Nanotechnology Reviews, 2016 The potential energy curves for the 45 singlet, triplet, and quintet electronic states in the representation 2s+1Λ(+/-) of the BF molecule have been investigated using the complete active space self-consistent field (CASSCF) method with multireference ...
Al Shawa Sally +3 more
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Studies of mutual neutralization in collisions involving Mg+/H−, Na+/H−, Li+/H− and Li+/Cl−
Heliyon, 2022 The Landau-Zener model is used to systematically compute mutual neutralization cross sections for collisions between Mg+/H−, Na+/H−, Li+/H− and Li+/Cl−.
Sifiso M. Nkambule, Oscar N. Mabuza
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Application of Computer-Aided Precious Metal Materials in Electrochemistry of Ceramic Jewelry Design
Journal of Chemistry, 2022 In order to solve the electrochemical application of precious metal materials in ceramic jewelry design, a computer-aided design method of precious metal materials in ceramic jewelry was proposed.
Jing Li
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AtomsThe potential energy curves and spectroscopic constants of the ground and several low-lying excited states of the Caq+-Kr (q = 0, 1, 2) van der Waals complexes were investigated using one- and two-electron pseudopotential approaches.
Wissem Zrafi +4 more
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Iraqi Journal of Physics, 2019 Theoretical spectroscopic studies of beryllium oxide has been carried out, potential energy curves for ground states X1Σ+ and exited states A1Π , B1Σ+ by using two functions Morse and and Varshni compared with experimental results.
Marwa Waleed Mahmod
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Vibronic interactions in trilobite and butterfly Rydberg molecules
Physical Review Research, 2023 Ultralong-range Rydberg molecules provide an exciting testbed for molecular physics at exaggerated scales. In the so-called trilobite and butterfly Rydberg molecules, the Born-Oppenheimer approximation can fail due to strong nonadiabatic couplings ...
Frederic Hummel +2 more
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