Re: [Wien] Augmented Plane Wave
That’s an interesting question. Out of Gerhard’s list (‘increased in number, amount or strength’), I’d go for ‘strength’. In the sense of ‘being more able to do the job’. Because an APW basis function is more similar to the actual function it needs to describe, in any part of the crystal (inside the muffin tin spheres or outside), they are more efficient as a basis. You need less of them compared to a plane wave basis. That’s being more able to do the job, that’s being ‘augmented’ (compared to regular plane waves). You define the APW yourself. This is not related to a wave being reflected or transmitted at a boundary. Stefaan From: Wien On Behalf Of delamora Sent: Friday, March 22, 2019 2:49 AM To: wien@zeus.theochem.tuwien.ac.at Subject: [Wien] Augmented Plane Wave Dear Wien users, I have a question about the name of "Augmented Plane Wave" I had the idea that when the wave enters the Muffin Tin sphere the amplitude of the wave increased. Trying to see this I found that when a wave crosses a step function, https://quantummechanics.ucsd.edu/ph130a/130_notes/node149.html When the incoming wave exp(ikx) reaches an upwards step function there is a reflected wave R exp(-ikx) and a transmitted wave T exp(ik'x) what this article shows is; 1 + R = T That is, the amplitudes of the incoming wave and the reflected wave add to the amplitude of the transmitted wave If I take this into a square well then I would understand that the waves inside the well have the total amplitude equal to the incoming and transmitted wave. That is, when the wave enters the Muffin Tin the amplitude of wave is not AUGMENTED. So why is this method called "Augmented Plane Wave"? Saludos Pablo ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Augmented Plane Wave
https://en.wiktionary.org/wiki/augmented ==> increased in number, amount or strength. Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz and Max Planck Institute for Chemical Physics of Solids 01187 Dresden Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von delamora [delam...@unam.mx] Gesendet: Freitag, 22. März 2019 02:49 An: wien@zeus.theochem.tuwien.ac.at Betreff: [Wien] Augmented Plane Wave Dear Wien users, I have a question about the name of "Augmented Plane Wave" I had the idea that when the wave enters the Muffin Tin sphere the amplitude of the wave increased. Trying to see this I found that when a wave crosses a step function, https://quantummechanics.ucsd.edu/ph130a/130_notes/node149.html When the incoming wave exp(ikx) reaches an upwards step function there is a reflected wave R exp(-ikx) and a transmitted wave T exp(ik'x) what this article shows is; 1 + R = T That is, the amplitudes of the incoming wave and the reflected wave add to the amplitude of the transmitted wave If I take this into a square well then I would understand that the waves inside the well have the total amplitude equal to the incoming and transmitted wave. That is, when the wave enters the Muffin Tin the amplitude of wave is not AUGMENTED. So why is this method called "Augmented Plane Wave"? Saludos Pablo ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Augmented Plane Wave
Dear Wien users, I have a question about the name of "Augmented Plane Wave" I had the idea that when the wave enters the Muffin Tin sphere the amplitude of the wave increased. Trying to see this I found that when a wave crosses a step function, https://quantummechanics.ucsd.edu/ph130a/130_notes/node149.html When the incoming wave exp(ikx) reaches an upwards step function there is a reflected wave R exp(-ikx) and a transmitted wave T exp(ik'x) what this article shows is; 1 + R = T That is, the amplitudes of the incoming wave and the reflected wave add to the amplitude of the transmitted wave If I take this into a square well then I would understand that the waves inside the well have the total amplitude equal to the incoming and transmitted wave. That is, when the wave enters the Muffin Tin the amplitude of wave is not AUGMENTED. So why is this method called "Augmented Plane Wave"? Saludos Pablo ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
