Quantum chemistry

Chemistry based on quantum physics

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We include updates on Atomic orbital, Electron configuration, Chemical bond, Photovoltaics, Density functional theory, VSEPR theory, Ionization energy, Orbital hybridisation, Ionization, Hartree–Fock method, Energy level, Molecular orbital theory, Born–Oppenheimer approximation, Valence bond theory, Electron hole, Exchange interaction ... and more.

2024 Massive increases in solar panel production in China caused module prices to drop to as low as $0.11/W, representing over a 90 percent reduction from 2011 prices.
2023 A solar PV project in Qatar achieved a record-low bid pricing of 0.015 US$/kWh.
2023 International Energy Agency declared solar PV as the cheapest source of electricity in history for projects with low-cost financing and high-quality resources.
2023 Gustavo Scuseria becomes President of the International Academy of Quantum Molecular Science for the term 2023-2026
2022 China achieved the world's largest solar power capacity at 390 GW of installed capacity.
2022
Morse potential
Khordad, R; Edet, C.O; and Ikot, A.N. published a research paper applying the Morse potential and improved deformed exponential-type potential (IDEP) model to predict thermodynamic properties of diatomic molecules in the International Journal of Modern Physics C.
April 2022 Worldwide installed solar photovoltaic capacity reached one terawatt.
2020 Energy payback time calculations were performed for different locations worldwide, including Ottawa (Canada), Catania (Italy), and Jaipur (India), to determine the time required for photovoltaic systems to produce the energy equivalent to their manufacturing process.
2019 University labs at Oxford, Stanford, and other institutions reported perovskite solar cells achieving significant efficiency levels between 20-25%, demonstrating promising advances in thin-film photovoltaic technology.
2019 Honduras generated the highest percentage of its energy from solar at 14.8%.
2019 Solar photovoltaics scientific output increased to 14,447 publications, demonstrating substantial research expansion.
2019 World record for solar cell efficiency achieved at 47.1% using multi-junction concentrator solar cells, developed at National Renewable Energy Laboratory in Colorado, US.
2019
Natural resonance theory
Zheng et al. used Natural Resonance Theory (NRT) at the wB97XD level in the GENBO 6.0W program to generate natural Lewis resonance structures and calculate bond orders of regium bond interactions between phosphonates and metal halides MX (M = Cu, Ag, Au; X = F, Cl, Br).
2019
Natural resonance theory
Glendening, Wright and Weinhold introduced a quadratic programming (QP) strategy for variational minimization in Natural Resonance Theory (NRT), which was integrated into NBO 7.0 version of their program.
2018
Superatom
Researchers produced 15-nm-thick flakes of a superatomic material, anticipating that a monolayer could serve as a superatomic 2-D semiconductor with unusual, tunable properties.
2018
Natural resonance theory
Minh et al. used Natural Resonance Theory (NRT) in the NBO 5.G program to calculate bond orders of Ge2M compounds, using density obtained from the B3P86/6-311+G(d) level of theory. The study analyzed bond characteristics for various transition metal combinations with germanium, examining total, covalent, and ionic bond orders.
2014 Grid parity was reached in 19 markets globally for photovoltaic energy production.
2012 Chinese manufacturers achieved production costs of $0.50/W for the cheapest solar modules.
2012 The Obama administration began levying tariffs on solar products to support domestic manufacturers in response to concerns about Chinese solar module pricing.
2012
TeraChem
Publications on nanotechnology, fullerenes, and molecular dynamics simulations, expanding the computational chemistry research scope.
2011 California reached grid parity for photovoltaic (PV) production, with PV production costs at or below retail electricity prices.
2011 Factory-gate prices for crystalline-silicon photovoltaic modules dropped below $1.00/W, surprising the industry and causing bankruptcies among solar manufacturing companies.
2011 Solar photovoltaics scientific output reached 9,094 publications, marking a significant point in research growth.
2011
TeraChem
Multiple publications exploring advanced computational chemistry techniques, including charge transfer in solvated proteins, excited-state electronic structure, and electron repulsion integral evaluation on GPUs.

This contents of the box above is based on material from the Wikipedia articles Photovoltaics, Natural resonance theory, Morse potential, DFTB, TeraChem, International Academy of Quantum Molecular Science, Atoms in molecules & Superatom, which are released under the Creative Commons Attribution-ShareAlike 4.0 International License.

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