An analysis through order variant Planck's constant over 2pi(2) of a surface hopping expansion of the nonadiabatic

Michael F Herman1, Yinghua Wu

  • 1Department of Chemistry, Tulane University, New Orleans, LA 70118, USA. mherman@tulane.edu

Related Concept Videos

Graphing the Wave Function01:13

Graphing the Wave Function

Consider the wave equation for a sinusoidal wave moving in the positive x-direction. The wave equation is a function of both position and time. From the wave equation, two different graphs can be plotted.
Bessel Function of Order Zero01:20

Bessel Function of Order Zero

A common physical example of wave propagation with radial symmetry is the ripple formed when a stone is dropped into a still pond. The disturbance originates at a central point and travels outward as a circular wave. As the radius of the wavefront increases, the same initial energy is distributed along a progressively larger circumference. Consequently, the amplitude, or height, of the wave decreases with distance from the center. This decay behavior cannot be captured by simple sine or cosine...
Equations of Wave Motion01:02

Equations of Wave Motion

Mathematically, the motion of a wave can be studied using a wavefunction. Consider a string oscillating up and down in simple harmonic motion, having a period T. The wave on the string is sinusoidal and is translated in the positive x-direction as time progresses. Sine is a function of the angle θ, oscillating between +A and −A and repeating every 2π radians. To construct a wave model, the ratio of the angle θ and the position x is considered.
Partial Differential Equations01:21

Partial Differential Equations

A stone dropped into a still pond generates waves that propagate outward in circular patterns, creating a dynamic surface whose elevation depends on both position and time. At any given location, the water level oscillates as the wave passes, while at any fixed moment, the surface exhibits smooth, curved structures extending across space. This dual dependence requires a mathematical description that accounts for variation in multiple variables simultaneously.At a fixed point on the water...
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to the...
Sound as Pressure Waves01:17

Sound as Pressure Waves

Sound waves, which are longitudinal waves, can be modeled as the displacement amplitude varying as a function of the spatial and temporal coordinates. As a column of the medium is displaced, its successive columns are also displaced. As the successive displacements differ relatively, a pressure difference with the surrounding pressure is created. The gauge pressure varies across the medium.
The pressure fluctuation depends on the difference in displacements between the successive points in the...