Electronic structure methods

Projector augmented wave method

The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations. It is a generalization of the pseudopotential and linear augmented-plane-wave methods, and allows for density functional theory calculations to be performed with greater computational efficiency. Valence wavefunctions tend to have rapid oscillations near ion cores due to the requirement that they be orthogonal to core states; this situation is problematic because it requires many Fourier components (or in the case of grid-based methods, a very fine mesh) to describe the wavefunctions accurately. The PAW approach addresses this issue by transforming these rapidly oscillating wavefunctions into smooth wavefunctions which are more computationally convenient, and provides a way to calculate all-electron properties from these smooth wavefunctions. This approach is somewhat reminiscent of a change from the Schrödinger picture to the Heisenberg picture. (Wikipedia).

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From playlist Physics - Waves

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Waves 6_2 Doppler Effect

Solution to problems dealing with the Doppler effect.

From playlist Physics - Waves

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Waves 2_16 Phasors

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From playlist Physics - Waves

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YouTube DIY Camera Boom

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From playlist YouTube Camera and Video Rendering

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Wavelet transform is an invaluable tool in signal processing, which has applications in a variety of fields - from hydrodynamics to neuroscience. This revolutionary method allows us to uncover structures, which are present in the signal but are hidden behind the noise. The key feature of w

From playlist Fourier

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Francois Gygi - Generating Reference Data and Controlling Accuracy in DFT and Hybrid DFT Simulations

Recorded 03 May 2022. Francois Gygi of University of California, Davis, Computer Science, presents "Generating Reference Data and Controlling Accuracy in DFT and Hybrid DFT Simulations" at IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Abstract: Density Funct

From playlist 2022 Large-Scale Certified Numerical Methods in Quantum Mechanics

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Filippo Lipparini - Black-box optimization of self-consistent field wavefunction, closed/open shells

Recorded 05 May 2022. Filippo Lipparini of the Università di Pisa presents "Black-box optimization of self-consistent field wavefunction for closed and open shell molecules" at IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Abstract: We present the implementa

From playlist 2022 Large-Scale Certified Numerical Methods in Quantum Mechanics

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Stanford Seminar - Beyond Flat Displays: Interactivity on Any Surface

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From playlist Stanford Seminars

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Professor Christian Lubich University of Tübingen, Germany

From playlist Distinguished Visitors Lecture Series

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From playlist Design

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From playlist Wave equation

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Hologram Project!!!

This video is used for Hologram technology, just make the hologram device at home with a very simple way, I'll put a video of how to make the Hologram device. Enjoy!

From playlist OPTICS

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From playlist Augmented, Virtual, and Extended Reality Seminar Series

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Low Divergence Laser Projector

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!!Con 2019 - Paper Synthesizer! Music created with Augmented Reality by Jes Wolfe!

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From playlist Physics - Waves

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Related pages

Quantum ESPRESSO | CASTEP | ABINIT | Density functional theory | ONETEP | Pseudopotential | Linearized augmented-plane-wave method