ML

Kirill Zinovjev1, Carles Curutchet2,3

  • 1Departamento de Química Física, Universidad de Valencia, 46100 Burjassot, Spain.

概括

本研究介绍了一种用于准确光学光谱和激发状态动态的多尺度模拟策略. 它克服了复杂系统的经典力场限制,如各种环境中的3-甲基-英多尔.

相关概念视频

Electrostatic Boundary Conditions01:16

Electrostatic Boundary Conditions

Consider an external electric field propagating through a homogeneous medium. When the electric field crosses the surface boundary of the medium, it undergoes a discontinuity. The electric field can be resolved into normal and tangential components. The amount by which the field changes at any boundary is given by the difference between the field components above and below the surface boundary.
The surface integral of an electric field is given by Gauss's law in integral form and is related to...
410
Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's...
1.1K
Magnetic Vector Potential01:15

Magnetic Vector Potential

In electrostatics, the electric field can be written as the negative gradient of the potential. In magnetostatics, the zero divergence of the magnetic field ensures that the magnetic field can be expressed as the curl of a vector potential. This potential is known as the magnetic vector potential.
Consider an ideal solenoid with n turns per unit length and radius R. If I is the current through the solenoid, the magnetic field inside the solenoid is expressed as the product of vacuum...
547
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
1.0K
Induced Electric Fields: Applications01:27

Induced Electric Fields: Applications

An important distinction exists between the electric field induced by a changing magnetic field and the electrostatic field produced by a fixed charge distribution. Specifically, the induced electric field is nonconservative because it does not work in moving a charge over a closed path. In contrast, the electrostatic field is conservative and does no net work over a closed path. Hence, electric potential can be associated with the electrostatic field but not the induced field. The following...
1.6K
Induced Electric Fields01:23

Induced Electric Fields

The fact that emfs are induced in circuits implies that work is being done on the conduction electrons in the wires. What can possibly be the source of this work? We know that it’s neither a battery nor a magnetic field, as a battery does not have to be present in a circuit where current is induced, and magnetic fields never do any work on moving charges. The source of the work is in fact an electric field that is induced in the wires. For example, if a stationary conductor is placed in a...
3.6K