Recent content by jbowers9

It's in one dimension. Why r vector? And what is k vector?

k = 2Πn/Na

The course I'm taking identifies "Bloch form" as Ψ(x) = u(x) eikx. I'm not sure I understand your question. My first answer I believe fills the bill, but the second one has u(x) in imaginary form and I'm not sure about it.

Homework Statement Given: sin(Πx/a)e6Πix/Na and e2Πi/a(7/N+4)x can these equations be represented in Bloch form?[/B] Homework Equations Given that Bloch form can be represented as: Ψ(x) = u(x) eikx[/B] The Attempt at a Solution sin(Πx/a)eikx w/n = 3 and...

bonds.py ethane.xyz File "<stdin>", line 1 bonds.py ethane.xyz ^ SyntaxError: invalid syntax

Usage: bonds.py XYZ_FILE XYZ_FILE: coordinates of target molecule Traceback (most recent call last): File "/home/jbowers9/bonds.py", line 138, in <module> xyz_file_name = get_inputs() File "/home/jbowers9/bonds.py", line 52, in get_inputs sys.exit()SystemExit>>> >>> /home/jbowers9/bonds.py...

Mentor note: Added code tags to preserve Python formatting, and altered some comment delimiters, that were being misinterpreted as LaTex markers. print(" # # IO FUNCTIONS # # # read file data into a 2-d array def get_file_string_array(file_name): try: file = open(file_name, "r")...

Hi all; I've already posted to P_Anywhere's site but... I'm trying to run a script that needs a data file piped to it. Now P_ Anywhere gives you a resident directory and mine contains the program and the data file. Sooo... bonds.py ethane.xyz maybe? Nah. Doesn't like that. But! I did get it to...

Hi, Where would I find data for rotational/vibrational temperatures for a particular molecule (ethane)? I tried googling but had no luck. Also can you compute the moments of inerta for a particular (simple) molecule?

Wow. Thanks a pile dude(?). What an embarassing oversite on my part! (Homer Simpson Duh!) All this time, I'm in my 50's, and I'm thinking liter is, or absentmindedly thinking it is, the SI unit for volume. It's all about the units, man.

I've also found, thanks to Excel, that the descrepancy involes either a factor of .01 inside the power expression (2ΠmkT/h2)3/2 or .001 times the expression [(2ΠmkT/h2)3/2*Ve5/2/Na] but I still don't know what it could be.

My calculated value is off by 30% which is huge. I rechecked the constants I used and the units : h = 6.63E-34 m2kg/s kB = 1.38E-23 JK-1 NA = 6.02E+23 T = 298.15 K V = 24.79 L I really am stumped. I'm using Excel to do the calculation and I've checked it several times and...

28 amu = 4.65E-26 kg

Homework Statement I'm attempting to calculate the translational entropy for N2 and I get a value of 207.8 J/Kmol. The tabulated value is given as 150.4 and I am stumped as to why the decrepancy. T = 298.15 K and P = 0.99 atm and V = 24.8 L R = 8.314 J/Kmol[/B] Homework Equations Strans =...

Homework Statement I'm asked to compute the molar entropy of oxygen gas @ 298.15 K & 1 bar given: molecular mass of 5.312×10−26 kg, Θvib = 2256 K, Θrot = 2.07 K, σ = 2, and ge1 = 3. I'm currently stuck on the vibrational entropy calculation. Homework Equations [/B]S = NkT ∂/∂T {ln q} + Nk...