Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing Units

Andrey Asadchev1, Veerendra Allada1, Jacob Felder1

  • 1Department of Chemistry and Department of Electrical and Computer Engineering Iowa State University and Ames Laboratory, Ames, Iowa 50011.

Related Concept Videos

Rectangular and Triangular Pulse Function01:19

Rectangular and Triangular Pulse Function

The unit rectangular pulse function is mathematically represented by a rectangular function centered at the origin with a height of one unit. This function is defined by two parameters: T, which specifies the center location of the pulse along the time axis, and τ, which determines the pulse duration.
For example, consider a rectangular pulse with a 5V amplitude, a 3-second duration, and centered at t=2 seconds. This pulse can be expressed using the rectangular function, written as,
2.2K
Curvilinear Motion: Rectangular Components01:23

Curvilinear Motion: Rectangular Components

Curvilinear motion characterizes the movement of a particle or object along a curved path, notably evident when envisioning a car navigating a winding road. If the car starts at point A, its position vector is established within a fixed frame of reference, where the ratio of the position vector to its magnitude signifies the unit vector pointing in the position vector's direction.
As the car advances, its position evolves over time. Quantifying the car's velocity involves computing the...
1.5K
Cartesian Vector Notation01:28

Cartesian Vector Notation

Cartesian vector notation is a valuable tool in mechanical engineering for representing vectors in three-dimensional space, performing vector operations such as determining the gradient, divergence, and curl, and expressing physical quantities such as the displacement, velocity, acceleration, and force. By using Cartesian vector notation, engineers can more easily analyze and solve problems in various areas of mechanical engineering, including dynamics, kinematics, and fluid mechanics. This...
1.8K
Trapezoidal Rule01:26

Trapezoidal Rule

Estimating the distance traveled by a vehicle using its recorded velocity over time is a common problem in physics and engineering. When velocity data is available at discrete time intervals, rather than as a continuous function, numerical integration methods such as the trapezoidal rule are often employed to approximate the total displacement.The trapezoidal rule works by dividing the total time interval into several equal segments. Within each segment, the recorded velocities at the endpoints...
184
Quadratic Models01:23

Quadratic Models

Quadratic models are mathematical representations used to describe relationships in which the rate of change changes at a constant rate. These models appear in a wide variety of natural and engineered systems, especially those involving motion, forces, and optimization. One common application is analyzing the vertical motion of objects influenced by gravity, such as a ball thrown into the air.In such scenarios, the object's height changes over time in a curved pattern, rising to a maximum point...
302
Vector Algebra: Graphical Method01:10

Vector Algebra: Graphical Method

Vectors can be multiplied by scalars, added to other vectors, or subtracted from other vectors. The vector sum of two (or more) vectors is called the resultant vector or, for short, the resultant.
We use the laws of geometry to construct resultant vectors, followed by trigonometry to find vector magnitudes and directions. For a geometric construction of the sum of two vectors in a plane, we follow the parallelogram rule. Suppose two vectors are at arbitrary positions. Translate either one of...
18.6K