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The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

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. Schrödinger...
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If a reaction has a small equilibrium constant, the equilibrium position favors the reactants. In such reactions, a negligible change in concentration may occur if the initial concentrations of reactants are high and the Kc value is small. In such circumstances, the equilibrium concentration is approximately equal to its initial concentration. This estimation can be used to simplify the equilibrium calculations by assuming that some equilibrium concentrations are equal to the initial...
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sp3d and sp3d 2 Hybridization
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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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Being able to calculate equilibrium concentrations is essential to many areas of science and technology—for example, in the formulation and dosing of pharmaceutical products. After a drug is ingested or injected, it is typically involved in several chemical equilibria that affect its ultimate concentration in the body system of interest. Knowledge of the quantitative aspects of these equilibria is required to compute a dosage amount that will solicit the desired therapeutic effect.
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In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...

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Updated: Jun 5, 2026

Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit
05:30

Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit

Published on: September 8, 2023

Simulating chemistry using quantum computers.

Ivan Kassal1, James D Whitfield, Alejandro Perdomo-Ortiz

  • 1Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA.

Annual Review of Physical Chemistry
|December 21, 2010
PubMed
Summary
This summary is machine-generated.

Quantum computation offers a powerful approach to overcome the challenges of simulating complex quantum systems in chemistry. This review explores how quantum algorithms are advancing chemical problem-solving, from electronic structure to protein folding.

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Last Updated: Jun 5, 2026

Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit
05:30

Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit

Published on: September 8, 2023

Area of Science:

  • Quantum Chemistry
  • Computational Chemistry
  • Quantum Computing

Background:

  • Simulating quantum systems is computationally intensive for conventional computers.
  • Quantum chemistry problems exhibit steep scaling challenges with system size.
  • Quantum computation provides a novel paradigm for tackling these simulations.

Purpose of the Study:

  • To review the application of quantum computation ideas to chemical problems.
  • To highlight algorithms offering advantages in chemical simulations.
  • To discuss recent experimental advances in quantum chemical calculations.

Main Methods:

  • Mapping quantum systems to controllable quantum computers.
  • Developing and applying quantum algorithms for chemical tasks.
  • Reviewing theoretical and experimental progress in the field.

Main Results:

  • Quantum algorithms show significant advantages for electronic-structure problems.
  • Applications extend to chemical dynamics and protein folding simulations.
  • Early chemical calculations have been performed on small quantum information processors.

Conclusions:

  • Quantum computation is a promising tool for advancing chemical simulations.
  • Theory development is outpacing experimental capabilities but progress is rapid.
  • The integration of quantum computing in chemistry is a rapidly evolving area.