将一般化量子主方程方法与准经典映射哈密尔顿方法相结合,以模拟电子连贯的动态

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.

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...

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...

Maxwell's equations for electromagnetic fields are related to source charges, either static or moving. These fields act on a test charge, whose trajectory can thus be determined using suitable boundary conditions. The objective of electromagnetism is thus theoretically complete.
However, although electric and magnetic fields were first introduced as mathematical constructs to simplify the description of mutual forces between charges, a natural question emerges from Maxwell's equations:...

Electromagnetic waves can travel in the vacuum as well as in matter. For example light, which is an electromagnetic wave, can travel through air, water, or glass.
Consider the electromagnetic wave passing through a dielectric medium. In such a case, Maxwell's equations get modified. In Ampere's law, ε0 , the dielectric permittivity of free space is replaced with ε, the permittivity of dielectric. Also, the vacuum permeability μ0 is replaced by the permeability of the...

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...