What is Gaussian: Definition and 771 Discussions

Gaussian is a general purpose computational chemistry software package initially released in 1970 by John Pople and his research group at Carnegie Mellon University as Gaussian 70. It has been continuously updated since then. The name originates from Pople's use of Gaussian orbitals to speed up molecular electronic structure calculations as opposed to using Slater-type orbitals, a choice made to improve performance on the limited computing capacities of then-current computer hardware for Hartree–Fock calculations. The current version of the program is Gaussian 16. Originally available through the Quantum Chemistry Program Exchange, it was later licensed out of Carnegie Mellon University, and since 1987 has been developed and licensed by Gaussian, Inc.

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  1. B

    "The distribution of heights is not Gaussian"

    I was browsing old threads at Physics Forums, and I came across some information in this thread from 2008 that got my interest. The thread is titled "Child molester avoids prison because he is short." PF member stickythighs wrote the following: "Since the average American man is 5'10", there...
  2. M

    A Probability of Surface Realization Above Black Line in Gaussian Process Puzzle

    I am looking at a surface where the height is described by a zero-mean gaussian process with cov(h_1,h_2)=\sigma^2\exp[-0.5\frac{(x_1-x_2)}{a^2}]. Given that h(x=0) = 0, what is the probability that a surface realization will go above the black line going from x=0 to infinity in the figure...
  3. L

    Solving for Minimum point Excel

    Homework Statement [/B] Hello, I trying to solve for the minimum value that the x and y components reach in plot (A). I know that you can perform this using IgorPro but I would like to know how to solve for it using Excel. The plot was constructed using the following data points: 110...
  4. E

    I How do you Calculate the Points in Gaussian Quadrature?

    How do you calculate the necessary points in a function to numerically integrate it using the Gaussian Quadrature? If I were to evaluate a function using two points, the Gaussian Quadrature needs the value of the function at ##\displaystyle{\pm \sqrt{\frac{1}{3}}}## with weights of unity. How...
  5. S

    Single-mode optical fibre output not Gaussian?

    Is there anything that would make a single mode fibre's speckle pattern not look Gaussian? I've attached two images (below) The Fibre C speckle pattern looks multimode The Fibre A speckle pattern doesn't really look convincingly like multimode or like single mode. A HeNe laser was used to...
  6. Zaent

    I Mean and Gaussian curvature for a Gaussian 'hill' seem wrong

    I'm hoping someone can help check whether my final contour plots look plausible based on the surface. I haven't done too much differential geometry but I've needed to work with Gaussian/Mean curvature for a simple 3D gaussian surface. Here's an example: (A = 7, a=b=1/(3.5)^2) It's...
  7. D

    QM: The time evolution of a Gaussian wave function

    Heads up, I only recently got into quantum mechanics and don't feel like I got a solid grasp on the material yet. 1. Homework Statement Given is the wave function of a free particle in one dimension: \begin{equation} \psi(x,0) = \left( \frac{2}{\pi a^2} \right)^{1/4} e^{i k_0 x} e^{-x^2/a^2}...
  8. B

    Question about Gaussian wave packet

    Homework Statement http://cafeptthumb2.phinf.naver.net/MjAxNzAzMTVfMjcw/MDAxNDg5NTY5MTEwOTk5.FfccOAaDqBZbb9wXwuUWda8EN1aVvzMdcXO0GvaWwTsg.EjdATfmPtj-DteqAXFu9urHMslV8JTeridwC4ZNoJ68g.PNG.nikel92/asfasf.PNG?type=w740 Homework EquationsThe Attempt at a Solution...
  9. E

    Group delay with Gaussian pulse

    Hello! Starting from a gaussian waveform propagating in a dispersive medium, is it possible to obtain an expression for the waveform at a generic time t, when the dispersion is not negligible? I know that a generic gaussian pulse (considered as an envelope of a carrier at frequency k_c) can be...
  10. uzi kiko

    A Reducing Gaussian Noise in Antenna Impedance Measurements

    Hi I am measuring the impedance of an operating antenna over time. Assuming the environment is not changing and the antenna temperature remain constant (No thermal drift) I am receiving the impedance value and additional noise that I want to model as Gaussian noise. So my simple model is: Y = X...
  11. ThunderLight

    I A Function for multiple 2D Gaussians

    I'm trying to put together a function that sums multiple 2D Gaussian functions in one graph (i.e.; multiple Gaussian pyramids). So far from my research, I formed the following function definition: I'm not sure if my research led me to the correct way of forming the function. Is this how...
  12. F

    Gaussian elimination (pivoting)

    Homework Statement In my book , the author stated that when we do the pivoting , we need to make the element below the leading element = 0 . For example for 3x3 matrix , for the first column , we have to make a11 = max , and make sure that a21 and a31 less than a11 , for the second column , we...
  13. F

    Solve Gaussian Elimination w/Pivoting: Problem Explained

    Homework Statement I am asked to solve this question using pivoting technique ... so , in I , I switched the R1 and R2 so that a11 is max , in III , i switched R9 nad R10 , so that a22 is max . But , in IV , i found that the a31 become -2/9 , which is not 0 anymore , what's wrong with my...
  14. J

    Gaussian shell and electric field

    Homework Statement Homework EquationsThe Attempt at a Solution Okay, parts a-c are zero as they are within both shells. Lets begin with d because i fear I am just repeating the same error in all of the following parts. Part d qenclosed=ρ(4πr^3/3-4πa^3/3) =...
  15. A

    Flux Through a Gaussian Surface

    Homework Statement A metal sphere of radius a is surrounded by a metal shell of inner radius b and outer radius R, as shown in the diagram below. The flux through a spherical Gaussian surface located between a and b is 1.20Q/εo and the flux through a spherical Gaussian surface just outside R is...
  16. J

    Net electric flux through a Gaussian cube

    Homework Statement An electric field given by https://edugen.wileyplus.com/edugen/shared/assignment/test/session.quest2560893entrance1_N10030.mml?size=14&ver=1486488694211 =...
  17. J

    Gaussian Shell and net electric field

    Homework Statement Homework Equations σ=q/(4πr^2)→q=σ(4πr^2) E=q/(4πEod^2) E=(4πr^2σ)/(4πEod^2)The Attempt at a Solution So the first thing that i could include was that the point p was inside Shell 1 and therefor would not be affected by Shell 1. So it should be a fairly simple plug in the...
  18. Buzz Bloom

    I Inflation and Gaussian CBR pertubations

    I have been exploring the paper: Statistical Tests for the Gaussian Nature of Primordial Fluctuations Through CBR Experiments http://lss.fnal.gov/archive/1993/pub/Pub-93-294-A.pdf . Here is a quote. Cosmic inflation [1], on one hand, provides a natural way to generate Gaussian initial...
  19. binbagsss

    Multivariate Gaussian - Normalization factor via diagnolization

    Homework Statement Hi, I am trying to follow my book's hint that to find the normalization factor one should "Diagnoalize ##\Sigma^{-1}## to get ##n## Gaussian which will have variance given by the eigenvalues of ##\Sigma## . Then integrate gives ##\sqrt{2\pi}\Lambda_i##, then use that the...
  20. senobim

    A Gaussian distribution characteristic function

    Hello, guys. I am trying to solve for characteristic function of normal distribution and I've got to the point where some manipulation has been made with the term in integrands exponent. And a new term of t2σ2/2 has appeared. Could you be so kind and explain that to me, please...
  21. C

    A Multi Gaussian beams explanation

    Can anyone explain intuitively or give a better explanation of multi gaussian beams and the ABCD matrix approach for sound (ultrasonics) and not light? Thanks!
  22. L

    Gaussian elimination system of Eqs, the case of no solution

    Homework Statement system of equations is as follows 4x +2y -2z = 0 2x + y -z= 1 3x +y -2z = 1 Homework EquationsThe Attempt at a Solution [/B] Using gaussian elimination we can multiply mid-eq, by (-2) [[[actually... it is simply a basic equation procedure]]] 2x+y-z=1 |*(-2) = -4x -2y...
  23. S

    I Gaussian integral in two dimensions

    I am trying to evaluate the following integral. ##\displaystyle{\int_{-\infty}^{\infty}f(x,y)\ \exp(-(x^{2}+y^{2})/2\alpha)}\ dx\ dy=1## How do you do the integral above?
  24. S

    I Gaussian integration for complex phase

    I would like to prove that ##\displaystyle{\int dx'\ \frac{1}{\sqrt{AB}}\exp\bigg[i\frac{(x''-x')^{2}}{A}\bigg]\exp\bigg[i\frac{(x'-x)^{2}}{B}\bigg]=\frac{1}{\sqrt{A+B}}\exp\bigg[i\frac{(x''-x)^{2}}{A+B}\bigg]}## Is there an easy way to do this integration that does not involve squaring the...
  25. S

    A Function integration of a Gaussian integral

    Consider the partition function ##Z[J]## of the Klein-Gordon theory ##Z[J] =\int \mathcal{D}\phi\ e^{i\int d^{4}x\ [\frac{1}{2}(\partial\phi)^{2}-\frac{1}{2}m^{2}\phi^{2}+J\phi]} =\int \mathcal{D}\phi\ e^{-i\int d^{4}x\ [\frac{1}{2}\phi(\partial^{2}+m^{2})\phi]}\ e^{i\int d^{4}x\...
  26. P

    I Can Hyperbolic Space be affecting our view of the universe?

    Usually when gravitational lensing is discussed, the examples are those of matter bending spacetime into a positive curvature. https://commons.wikimedia.org/wiki/File:Gravitational_lens-full.jpg In these cases, distortion of light is clearly evident as images of galaxies from behind these...
  27. math4everyone

    Proving Gauss Law using a "bad" Gaussian surface

    Homework Statement What I basically want to do is to prove Gauss Law with a cylinder perpendicular to an infinite charged wire (I know I can do this simple, but I want to do it this way) This is what I have done so far: Homework Equations $$\Phi=\int \frac{dq}{4\pi \varepsilon_0 r^2} \hat{r}...
  28. R

    Electric Potential of Two Spherical Shells: Gaussian Surface Homework

    Homework Statement A thin spherical shell with radius R1 = 2.00 cm is concentric with a larger thin spherical shell with radius 6.00 cm . Both shells are made of insulating material. The smaller shell has charge q1=+6.00nC distributed uniformly over its surface, and the larger shell has charge...
  29. J

    Gaussian integration in infinitesimal limit

    Homework Statement Given the wave function of a particle \Psi(x,0) = \left(\frac{2b}{\pi}\right)^{1/4}e^{-bx^2} , what is the probability of finding the particle between 0 and \Delta x , where \Delta x can be assumed to be infinitesimal. Homework EquationsThe Attempt at a Solution I proceed...
  30. C

    What is the Probability of Hereditary Conditions in a Gaussian Distribution?

    Homework Statement Please help! I'm new to Gaussian and I've been on this problem for hours, I can't crack it at all (no pun intended) can anyone provide a detailed walk through the answers? On average 5% of eggs contain a hereditary condition. Use Gaussian distribution to find the...
  31. I

    Double integral of gaussian times mod cos function

    Homework Statement I want to evaluate the following definite integral of the form, I = \int\limits_{x = -\infty}^{\infty}\int\limits_{y = -\infty}^{\infty} e^{-ax^2} e^{-by^2} | \cos(c x + d y)| dx dy where a, b, c, and d are constants, as part of a larger problem I am doing, Homework...
  32. Twigg

    I Effect of a Moving Average on Gaussian Noise

    Hi all, I think there is a really obvious answer to this, but I just don't see it yet. Suppose you had N data sets that all measured the same quantity as a function of time. Each data set shows the same signal plus a random noise component which is normally distributed about the signal with a...
  33. D

    A Gaussian 09 Output file_DFT Calcuation

    Hi, I am trying to understand the functional form of B3LYP from the Gaussian output file. I have tried to relate the details in the output file with the functional form of B3LYP. But I am not sure what certain terms correspond to. I have mentioned below the details. Can you pleaese help me. In...
  34. defaultusername

    Curvature using Mathematica

    Homework Statement Use Mathematica to calculate the Gaussian curvature of the plane Ax+By+Cz=D, in which A, B, C, and D are constants and C≠0. Use the following data: Homework Equations The Attempt at a Solution First I found the line curvature. As here: That code gets the result = 0...
  35. D

    How to Convert Capacitance in cm to Farads for a Transmission Line Experiment?

    Homework Statement Basically I have to convert from Gaussian Units in a Transmission Line Experiment. I don't get what the point of expressing Capacitance in cm is and I find this very confusing. Homework Equations The equation I've been given is C'=Q'/V=w/4πh, (1) where the prime denotes "per...
  36. ChrisVer

    I Fit a Poisson on Gaussian distributed data

    Hi, I have a simple/fast question... Can you reliably use a Poisson function to fit on data that seem to be Gaussian distributed (although that is due to the large number of the mean)?
  37. M

    Fourier Transform of a 2D Anisotropic Gaussian Function

    In an image processing paper, it was explained that a 2D Gabor filter is constructed in the Fourier domain using the following formula: $$ H(u,v)=H_R(u,v) + i \cdot H_I(u,v)$$ where HR(u,v) and HI(u,v) are the real and imaginary components, respectively. It also mentions that the real and...
  38. davidbenari

    The Mystery of the Missing Pi Phase Shift in Gaussian Beam Interference

    The superposition of a gaussian beam and a plane wave generates a pattern of rings whose phase shift before and after the focal plane (of the gaussian beam) is ##\pi##. This means that if you measure interference before and after you'll see the minimums and maximums of intensity invert. We can...
  39. D

    A How can I tell Gaussian to read coordinates as Cartesian?

    Hello, I have been I am trying to optimize a molecule (crowded) with the chemical formula C60H52O18P4S4W2. The problem arises after 2 days, which means that the initial geometry was not a problem. " GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization...
  40. Idyia

    B Why doesn't the flux through a Gaussian surface change with a change in shape?

    Why doesn't the flux through a Gaussian surface change, when the shape is changed? (while keeping the net charge inside it the same) Flux is the dot product of electric field and surface area, so wouldn't it change if surface area is changed?
  41. C

    A Multi Gaussian Beam Derivation | Example Matrix

    Hi, I was looking at derivation of a multi gaussian beam to represent the ultrasonic beam from a transducer through a fluid. In the derivation a complex valued symmetrical 2x2 matrix is used whose imaginary part of eigen values is more than zero. Can someone please tell me what are the...
  42. P

    MHB James' question about Gaussian Elimination

    We start by writing the system as an augmented matrix $\displaystyle \begin{align*} \left[ \begin{matrix} 2 & -2 & 1 & 1 & \phantom{-}4 \\ 4 & -1 & 2 & 3 & -\frac{5}{2} \\ 4 & -4 & 5 & 1 & \phantom{-}8 \\ 0 & \phantom{-}2 & 3 & 4 & -5 \end{matrix} \right] \end{align*}$ Once we have used...
  43. P

    MHB Solve System w/ Gaussian Elimination & Partial Pivoting (Sufyan)

    We write the system as an augmented matrix $\displaystyle \begin{align*} \left[ \begin{matrix} \phantom{-}1 & 4 & \phantom{-}1 & 0 & \phantom{-}5 \\ \phantom{-}1 & 6 & -1 & 4 & \phantom{-}7 \\ -1 & 2 & -9 & 2 & -9 \\ \phantom{-}0 & 1 & \phantom{-}2 & 0 & \phantom{-}4 \end{matrix} \right]...
  44. P

    MHB Question from Jesse about Gaussian Elimination and LU factorisation.

    This system can be written as a matrix equation $\displaystyle \begin{align*} A\,\mathbf{x} = \mathbf{b} \end{align*}$ as $\displaystyle \begin{align*} \left[ \begin{matrix} \phantom{-}2 & 4 & \phantom{-}0 & 1 \\ \phantom{-}2 & 8 & -2 & 7 \\ -2 & 2 & -2 & 7 \\ \phantom{-}0 & 8 & -5 & 11...
  45. A

    Gaussian gun: Where does the extra kinetic energy come from?

    Probably a stupid question, but I do not get it... Here you can see an experiment demonstrating the Gaussian gun: Here I understand how momentum is conserved, i.e. the smaller mass of the ejected ball times its high speed is equal the bigger total mass of the recoiling masses times its...
  46. P

    MHB Question from Kamal about Gaussian Elimination via email

    I'm not sure where you're getting the idea that z = 2, as this is not correct. I'm assuming this is to be done without pivoting... Set up your augmented matrix: $\displaystyle \begin{align*} \left[ \begin{matrix} 2 & \phantom{-}1 & -3 & -5 \\ 1 & -1 & \phantom{-}2 & 12 \\ 7 & -2 & \phantom{-}...
  47. P

    B Gaussian Curvature and Riemmanian Geometry

    Please bear with me because I'm only in Pre-calculus and am taking basic high school physics. This is completely outside of my realm but curiosity has taken the better of me. I just learned last week about the difference between Euclidean Geometry and Riemmanian Geometry (from another thread...
  48. Z

    Dealing w/slight modification of Gaussian integral?

    Hey, folks. I'm doing a problem wherein I have to evaluate a slight variation of the Gaussian integral for the first time, but I'm not totally sure how to go about it; this is part of an integration by parts problem where the dv is similar to a gaussian integral...
  49. K

    Gaussian surface (infinitely long cylindrical conductor)

    Homework Statement An infinitely long, cylindrical, conducting shell of inner radius b and outer radius c has a total charge Q. A line of uniform charge distribution Λ is placed along the axis of the shell. Using Gauss's Law and justifying each step, determine. A) The Electric Field for r>a...
  50. I

    Electric field outside a gaussian surface

    Hello If we have a gaussian surface that is placed in a uniform electric field E and encloses 0 charge, what would the E-field at the gaussian surface be? I have assumed the gaussian surface to be cubic surface, and then I have found from Gauss's law that the electric field is zero at the...
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