Threads Tagged with dft Thread / Thread Starter Last Post Replies Views so this is from math lab x is a 2 kHz sinewave >> n = 0:1023; >> t = n/8000; >> x = sin(2000*2*pi*t); >> X =... Sep7-13 09:28 AM ZetaGuy 17 1,819 Calculus Dear PF, I'm reading a book on DFT, and it says that only ground-state wave function is a unique functional of the... May27-13 10:52 PM Useful nucleus 5 870 Atomic, Solid State, Comp. Physics I am reading the following paper: Soft-decision decoding of polar codes with Reed-Solomon kernels On the last line... May7-13 08:02 PM ait.abd 0 529 Linear & Abstract Algebra I wish it wasn't out of desperation that I'm making this first post! I have a neural network that is making... Mar10-13 12:05 PM Cardinal Gramm 2 473 Electrical Engineering 1. The problem statement, all variables and given/known data The entries of the time-domain vector: x(1) = ; N = 12... Nov12-12 12:56 PM DmytriE 13 1,238 Engineering, Comp Sci, & Technology Homework A. Given the exact locations of N electrons - can we find out the total wave function and the individual wave... Oct10-12 06:46 AM DrDu 6 951 Atomic, Solid State, Comp. Physics I'm confused about the DFT of the data, fn = cos(3\pin/N) for n=0,1,...,N. It is definitely an even function, and I... Apr5-12 11:30 PM rmp251 8 1,950 Calculus Hello Everyone, I am a PhD student working in the field of mineral and material processing. One part of my project... Mar2-12 02:27 PM cgk 1 1,909 Atomic, Solid State, Comp. Physics DCT and DFT are frequently used in image signal processing. These transfoms are similar. DCT is mainly used in... Jan22-12 05:13 AM Chriszz 0 2,428 Electrical Engineering Hi Everyone, I am a PhD student working on different collector molecules used in flotation process (an important... Oct25-11 10:09 PM Einstein Mcfly 4 2,980 Atomic, Solid State, Comp. Physics Hi, Does anybody know how to construct a DFT matrix for the algebra ℂ, where S3 is the symmetry group of a triangle... Oct24-11 04:58 AM som76 0 1,020 Linear & Abstract Algebra Hi to all, i'm not a specialist of gaussian03, so sorry if is a basic question when i launch the DFT calculation... Sep8-11 08:22 AM lampo 0 885 Engineering, Comp Sci, & Technology Homework hello! I want to optimize the geometry of a molecule with silica tetrahedral units and calcium atoms without bond... Mar24-11 06:44 AM agmelinte 0 1,261 Atomic, Solid State, Comp. Physics Im trying to calculate the ground state energy of Helium using a density functional theory approach combined with the... Mar8-11 01:39 PM JMedley 8 3,810 Quantum Physics I am currently working on a project analysing inhibitors of a heme enzyme which oxidises an indole molecule. We have... Nov5-10 09:04 AM jrsmith 0 875 Chemistry I'm curious to know why chemists like to use Gaussian basis set in case of an ab-initio (ex.DFT) calculation. I... Oct27-10 12:20 PM alxm 9 9,088 Atomic, Solid State, Comp. Physics Dear all, In Density Functional Theory (DFT) the Kohn-Sham eigenvalues are used to construct the band structure and... Apr4-10 02:25 AM kanato 1 1,646 Atomic, Solid State, Comp. Physics When I take the fft of a set of data and plot it, there is a reflection around the nyquist. Everybody knows this, but... Oct9-09 04:57 PM jsparger 0 2,916 General Math Hello, I have a question regarding fft's. My experience with working with fourier transforms is pretty much limited... Jul11-09 02:36 PM eric hardin 3 3,416 General Math -- i know there were threads about reduced density matrix in this forum, but I am reading "Density-functional theory... May2-09 01:25 AM wolich22 0 1,074 Quantum Physics Well, I use intel fortran compiler and mkl 10 library in my notebook. But my school's system is using mkl 7 and old... Jul2-08 09:41 AM uelmen 0 3,177 Programming & Computer Science