Atomic and molecular structure as a research area investigates the spatial arrangement, electronic configuration, and intrinsic quantum properties of atoms and molecules, and how these features determine their spectroscopic, chemical, and physical behavior. It encompasses theoretical and computational methods (e.g., ab initio quantum chemistry, density functional theory, configuration interaction) and experimental techniques (e.g., high-resolution spectroscopy, scattering, synchrotron and XFEL-based probes) to resolve electronic states, bonding patterns, potential energy surfaces, and correlation effects. This field underpins understanding of reactivity, photophysics, materials properties, and the design of novel molecules, clusters, and nanostructures with targeted electronic and structural characteristics.
Atoms are complex quantum systems consisting of a positively charged nucleus surrounded by negatively charged electrons. When multiple atoms come together to form a molecule, the electrons of the constituent atoms interact ...
General Physics
Aug 6, 2024
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118
By discovering new ways to manipulate matter at the atomic and molecular levels, advances in nanotechnology are paving the way for innovations in medicine, electronics, materials science and environmental remediation, among ...
Bio & Medicine
Aug 6, 2024
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14
Researchers from Skoltech, Ural Federal University, and Mikheev Institute of Metal Physics, UB RAS, have furnished a fundamental theoretical description of important properties of chemical bonding in materials—namely, the ...
Condensed Matter
Aug 6, 2024
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8
One of the potential advantages of quantum computers that scientists are most hopeful about is molecular simulations. These simulations are too complex for classical computers to perform with enough accuracy, but it's possible ...
Quantum Physics
Jun 5, 2024
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116
The Nanomaterials Modeling group of Dr. Grajciar and Dr. Heard from the Faculty of Science, Charles University develops and applies a range of computational methods to study materials with significant industrial potential ...
Nanomaterials
May 31, 2024
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39
Spectroscopy is the study of how matter absorbs and emits light and other radiation. It allows scientists to study the structure of atoms and molecules, including the energy levels of their electrons. Classical optical spectroscopy ...
Optics & Photonics
May 20, 2024
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135
If you zoom in on a chemical reaction to the quantum level, you'll notice that particles behave like waves that can ripple and collide. Scientists have long sought to understand quantum coherence, the ability of particles ...
Quantum Physics
May 16, 2024
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699
Since the discovery of quantum mechanics more than a hundred years ago, it has been known that electrons in molecules can be coupled to the motion of the atoms that make up the molecules. Often referred to as molecular vibrations, ...
Condensed Matter
May 8, 2024
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658
A collaborative research team from Nanjing University of Science and Technology (NJUST) and East China Normal University (ECNU) has theoretically proposed that a pump-probe high-harmonic spectroscopy (HHS) driven by VUV-IR ...
Optics & Photonics
Apr 29, 2024
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2
With the development of the internet, social media and cloud computing, the amount of data created worldwide on a daily basis is sky-rocketing. This calls for new technologies that could provide higher storage densities combined ...
Condensed Matter
Apr 4, 2024
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