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Related Concept Videos

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

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Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
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Quantum Numbers02:43

Quantum Numbers

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It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.
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Hybridization of Atomic Orbitals I03:24

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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

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sp3d and sp3d 2 Hybridization
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Equilibrium Conditions for a Particle01:23

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When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
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Atomic Orbitals02:44

Atomic Orbitals

33.5K
An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.
33.5K

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Updated: Jun 25, 2025

Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit
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Quantum-centric high performance computing for quantum chemistry.

Jie Liu1, Huan Ma1, Honghui Shang2

  • 1Hefei National Laboratory, University of Science and Technology of China, Hefei 230088, China. liujie86@ustc.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|May 24, 2024
PubMed
Summary
This summary is machine-generated.

Quantum-centric high performance computing (QCHPC) merges high performance computing and quantum computing to solve complex quantum chemistry problems. This approach enhances computational power through new algorithms and quantum simulators.

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Area of Science:

  • Computational science
  • Quantum chemistry
  • Quantum computing

Background:

  • High performance computing (HPC) excels at complex problem-solving.
  • Quantum computing (QC) offers efficient solutions for quantum chemistry.
  • The synergy of HPC and QC in quantum-centric high performance computing (QCHPC) is emerging.

Purpose of the Study:

  • Introduce quantum algorithms suitable for QCHPC.
  • Discuss parallel implementation strategies for quantum-centric supercomputers.
  • Explore the potential of QCHPC in advancing quantum chemistry.

Main Methods:

  • Conceptual overview of quantum algorithms for QCHPC.
  • Discussion of parallelization strategies on quantum-centric supercomputers.
  • Summary of high-performance quantum emulating simulators.

Main Results:

  • Identified quantum algorithms applicable to QCHPC.
  • Outlined parallel strategies for quantum-centric supercomputers.
  • Highlighted quantum emulating simulators as key tools for QCHPC exploration.

Conclusions:

  • QCHPC represents a significant advancement for quantum chemistry.
  • Interdisciplinary collaboration is crucial for QCHPC implementation.
  • Future research should address challenges and explore opportunities in QCHPC.