Tuesday, January 31, 2006
Numerical Analysis using Matlab
使用Matlab來作數值分析
format long e; 將表示式以科學記號表示(e: scientific, f: fixed工程用)
Thursday, January 26, 2006
Taylor Expansion Series
Saturday, January 14, 2006
RootInstall@Ubuntu-5.10
為了要能看histogram分布,所以就想要學習root,抓取了cvs snapshot,安裝時發現缺少了libXpm, libXext, libXmu,所以就安裝了libXpm4, libXpm-dev, libxau-dev, libxext-dev, libxi-dev, x11proto-input-dev, x11proto-xext-dev, libxmu-dev, libxmu-headers。
利用
./configure make make install來安裝root到系統中。 設定export ROOTSYS=~/root
Friday, January 06, 2006
symbolic
>> help symbolic
Symbolic Math Toolbox.
Version 3.0.1 (R13SP1) 27-Dec-2002
Calculus.
diff - Differentiate.
int - Integrate.
limit - Limit.
taylor - Taylor series.
jacobian - Jacobian matrix.
symsum - Summation of series.
Linear Algebra.
diag - Create or extract diagonals.
triu - Upper triangle.
tril - Lower triangle.
inv - Matrix inverse.
det - Determinant.
rank - Rank.
rref - Reduced row echelon form.
null - Basis for null space.
colspace - Basis for column space.
eig - Eigenvalues and eigenvectors.
svd - Singular values and singular vectors.
jordan - Jordan canonical (normal) form.
poly - Characteristic polynomial.
expm - Matrix exponential.
Simplification.
simplify - Simplify.
expand - Expand.
factor - Factor.
collect - Collect.
simple - Search for shortest form.
numden - Numerator and denominator.
horner - Nested polynomial representation.
subexpr - Rewrite in terms of subexpressions.
subs - Symbolic substitution.
Solution of Equations.
solve - Symbolic solution of algebraic equations.
dsolve - Symbolic solution of differential equations.
finverse - Functional inverse.
compose - Functional composition.
Variable Precision Arithmetic.
vpa - Variable precision arithmetic.
digits - Set variable precision accuracy.
Integral Transforms.
fourier - Fourier transform.
laplace - Laplace transform.
ztrans - Z transform.
ifourier - Inverse Fourier transform.
ilaplace - Inverse Laplace transform.
iztrans - Inverse Z transform.
Conversions.
double - Convert symbolic matrix to double.
poly2sym - Coefficient vector to symbolic polynomial.
sym2poly - Symbolic polynomial to coefficient vector.
char - Convert sym object to string.
Basic Operations.
sym - Create symbolic object.
syms - Short-cut for constructing symbolic objects.
findsym - Determine symbolic variables.
pretty - Pretty print a symbolic expression.
latex - LaTeX representation of a symbolic expression.
ccode - C code representation of a symbolic expression.
fortran - FORTRAN representation of a symbolic expression.
Special Functions.
sinint - Sine integral.
cosint - Cosine integral.
zeta - Riemann zeta function.
lambertw - Lambert W function.
gcd - Greatest common divisor.
lcm - Least common multiple.
String handling utilities.
isvarname - Check for a valid variable name (MATLAB Toolbox).
vectorize - Vectorize a symbolic expression.
Pedagogical and Graphical Applications.
rsums - Riemann sums.
ezcontour - Easy to use contour plotter.
ezcontourf - Easy to use filled contour plotter.
ezmesh - Easy to use mesh (surface) plotter.
ezmeshc - Easy to use combined mesh/contour plotter.
ezplot - Easy to use function, implicit, and parametric curve plotter.
ezplot3 - Easy to use spatial curve plotter.
ezpolar - Easy to use polar coordinates plotter.
ezsurf - Easy to use surface plotter.
ezsurfc - Easy to use combined surface/contour plotter.
funtool - Function calculator.
taylortool - Taylor series calculator.
Demonstrations.
symintro - Introduction to the Symbolic Toolbox.
symcalcdemo - Calculus demonstration.
symlindemo - Demonstrate symbolic linear algebra.
symvpademo - Demonstrate variable precision arithmetic
symrotdemo - Study plane rotations.
symeqndemo - Demonstrate symbolic equation solving.
Access to Maple. (Not available with Student Version.)
maple - Access Maple kernel.
mfun - Numeric evaluation of Maple functions.
mfunlist - List of functions for MFUN.
mhelp - Maple help.
procread - Install a Maple procedure. (Requires Extended Toolbox.)
Thursday, January 05, 2006
Hydrogen Molecules Calculations
Hydrogen Molecules是2個Proton各別擁有1個electron。
IBM Account Info: 140.110.13.2/u00sam00/慣用密碼
syms r a lam mu positive Phi=2*lam^(3/2)*exp(-lam*r) PhiA=2*lam^(3/2)*exp(-lam*(r^2+a^2-2*r*a*mu)^(1/2)) Phi2A=2*lam^(3/2)*exp(-lam*(r^2+4*a^2-4*r*a*mu)^(1/2)) Saa=int(Phi*Phi*r*r,r,0,inf) PhiABr=int(Phi*Phi2A, mu, -1, 1)/2 PhiABr=simplify(Phi2Ar) Sab=int(PhiABr*r*r, r, 0, inf) Sab=simplify(Sab) N=1/2/(1+Sab) dPhi=diff(Phi,r) Kaa=int(dPhi*dPhi*r*r,r,0,inf) dPhi2A=diff(Phi2A,r) dPhi2A=simplify(dPhi2A) Kab=int(dPhi*dPhi2A,mu,-1,1)/2 Kab=simplify(Kab) Kab=int(Kab*r*r,r,0,inf) K=Kaa+Kab1s orbital
Atomic orbitals: 1s equations
The symbols used in the following are:
* r = radius expressed in atomic units (1 Bohr radius = 52.9 pm)
* π = 3.14159 approximately
* e = 2.71828 approximately
* Z = effective nuclear charge for that orbital in that atom.
* ρ = 2Zr/n where n is the principal quantum number (1 for the 1s orbital)
Table of equations for the 1s orbital. Function Equation
Radial wave function, R1s = 2 × Z3/2 × e-ρ/2
Angular wave function, Y1s = 1 × (1/4π)1/2
Wave function, ψ1s = R1s × Y1s
= 2Z3/2e-ρ/2 × (1/4π)1/2
Electron density = ψ1s2
Radial distribution function = 4πr2ψ1s2