相关实验视频

Updated: Jul 8, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.2K

在现代加速处理器上对高角动量四中心高斯积分的高性能评估

Andrey Asadchev1, Edward F Valeev1

  • 1Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States.

The journal of physical chemistry. A
|December 13, 2023
PubMed
概括

我们开发了一种快速的GPU方法,用于计算具有高角动量的高斯原子轨道的电子积分. 这种方法比现有的方法快1000倍以上,加速了计算化学研究.

更多相关视频

The Generation of Higher-order Laguerre-Gauss Optical Beams for High-precision Interferometry12:14

The Generation of Higher-order Laguerre-Gauss Optical Beams for High-precision Interferometry

Published on: August 12, 2013

21.8K
High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions08:42

High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions

Published on: October 10, 2014

11.6K

相关概念视频

Angular Momentum about an Arbitrary Axis01:11

Angular Momentum about an Arbitrary Axis

Imagine a rigid body with a mass denoted as 'm', which has its center of mass at point G and is rotating around an inertial reference frame. The angular momentum at an arbitrary point P can be calculated by taking the cross product of the position vector and linear momentum vector for each individual mass element.
The velocity of a mass element comprises its translational velocity and the relative velocity instigated by the body's rotation. Substituting the velocity equation into...
199
Conservation of Angular Momentum: Application01:18

Conservation of Angular Momentum: Application

A system's total angular momentum remains constant if the net external torque acting on the system is zero. Examples of such systems include a freely spinning bicycle tire that slows over time due to torque arising from friction, or the slowing of Earth's rotation over millions of years due to frictional forces exerted on tidal deformations. However in the absence of a net external torque, the angular momentum remains conserved. The conservation of angular momentum principle requires a...
10.9K
Conservation of Angular Momentum01:09

Conservation of Angular Momentum

A system's total angular momentum remains constant if the net external torque acting on the system is zero. Considering a system that consists of n tiny particles, the angular momentum of any tiny particle may change, but the system's total angular momentum would remain constant. The principle of conservation of angular momentum only considers the net external torque acting on the system. While there are internal forces exerted by different particles within the system that also produce...
10.3K
Angular Momentum: Single Particle01:10

Angular Momentum: Single Particle

Angular momentum is directed perpendicular to the plane of the rotation, and its magnitude depends on the choice of the origin. The perpendicular vector joining the linear momentum vector of an object to the origin is called the “lever arm.” If the lever arm and linear momentum are collinear, then the magnitude of the angular momentum is zero. Therefore, in this case, the object rotates about the origin such that it lies on the rim of the circumference defined by the lever arm...
6.1K
Angular Momentum01:21

Angular Momentum

Angular momentum characterizes an object's rotational motion and is defined as the moment of its linear momentum about a specified point O. When a particle moves along a curved path in the x-y plane, the scalar formulation calculates the magnitude of its angular momentum, utilizing the moment arm (d), representing the perpendicular distance from point O to the line of action of the linear momentum. Despite being scalar in formulation, angular momentum is inherently a vector quantity. Its...
214
Angular Momentum and Principle Axes of Inertia01:09

Angular Momentum and Principle Axes of Inertia

The concept of angular momentum for a solid structure is illustrated as the cumulative result of the cross-product of the position vector of the mass element and the cross-product of the body's angular velocity with the position vector.
To put this equation into simpler terms, it can be reconfigured using rectangular coordinates. This involves choosing an alternative set of XYZ axes that are arbitrarily inclined with respect to the reference frame. The process of deriving the rectangular...
209