Particle in a Box - Revision history

Bes: /* The Chemical System */

2022-02-10T16:35:39Z

The Chemical System

2022-02-10T16:33:30Z

The Basic Model System

2020-02-06T19:56:55Z

2019-02-18T14:52:22Z

Results

2017-02-09T23:36:56Z

Results

2017-02-09T23:36:42Z

Results

2017-02-09T23:25:02Z

2017-02-09T23:24:16Z

2017-02-09T23:21:01Z

Results

2017-02-09T23:17:00Z

Results

@@ Line 37: / Line 37: @@
 ) What is an estimate of the "box length" (ie molecular frame).
-) What is the DeltaE between the HOMO and LUMO
+) What is the &Delta;E between the HOMO and LUMO
 ) Use the "Boltzmann" distribution to calculate the number of particles in the n(HOMO) verses the n(LUMO) state...essentially reproduce graph in example problem 2.1.

@@ Line 11: / Line 11: @@
 :- the operator
 :- the (eigen)function
-:- the eigenvalue = observable.
+:- the (eigen)value = observable.
 The operator in this case, like many, is the ''Hamiltonian'' operator, the eigenfunction is given above, and we need to solve for the eigenvalue or energy.

@@ Line 1: / Line 1: @@
-'''Question: Can a simple function like y(x) = Sqrt[a/2]*Sin[Pi*x/a] describe an electron in a molecule?'''
+'''Question: Can a simple function like y(x) = Sin[n*Pi*x/a] describe an electron in a molecule?'''
 '''Answer: yes.'''
@@ Line 16: / Line 16: @@
 ===Initial Tasks===
-) Convince yourself that the function provided above is an eigenfunction of the Hamiltonian operator.
+) Is the wavefunction y(x) = Sin[n*Pi*x/a] normalized? No...normalize it...answer = y(x) = Sqrt[a/2]*Sin[n*Pi*x/a]
 :You ask, how do i do that?...just operate on the function with the Hamiltonian operator and if you return a "value" and the function, then the function is an eigenfunction for the Hamiltonian operator. You do need to know that the potential energy, V(x), inside of the box and it is equal to zero...so the Hamiltonian operator is a bit more simple in this model system. '''Please "do this" work in your lab notebook.

← Older revision		Revision as of 14:52, 18 February 2019
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	[[1,1%27-diethyl-2,2%27-cyanine_iodide\|1,1%27-diethyl-2,2%27-cyanine_iodide]]		[[1,1%27-diethyl-2,2%27-cyanine_iodide\|1,1%27-diethyl-2,2%27-cyanine_iodide]]
		+
		+	===General Info===
		+
		+	[https://en.wikipedia.org/wiki/Cyanine Cyanine]

← Older revision		Revision as of 23:36, 9 February 2017
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	[[3,3'-Diethylthiacarbocyanine iodide CF\|3,3'-Diethylthiacarbocyanine iodide_CF]]		[[3,3'-Diethylthiacarbocyanine iodide CF\|3,3'-Diethylthiacarbocyanine iodide_CF]]

−	[[/1,1%27-diethyl-2,2%27-cyanine_iodide\|/1,1%27-diethyl-2,2%27-cyanine_iodide]]	+	[[1,1%27-diethyl-2,2%27-cyanine_iodide\|1,1%27-diethyl-2,2%27-cyanine_iodide]]

← Older revision		Revision as of 23:36, 9 February 2017
Line 56:		Line 56:

	[[3,3'-Diethylthiacarbocyanine iodide CF\|3,3'-Diethylthiacarbocyanine iodide_CF]]		[[3,3'-Diethylthiacarbocyanine iodide CF\|3,3'-Diethylthiacarbocyanine iodide_CF]]
		+
		+	[[/1,1%27-diethyl-2,2%27-cyanine_iodide\|/1,1%27-diethyl-2,2%27-cyanine_iodide]]

@@ Line 51: / Line 51: @@
 [[Cryptocyanine|Cryptocyanine]]
-[[3,3′Diethylthiacarbocyanine iodide_AK|3,3′Diethylthiacarbocyanine iodide]]
+[[3,3′Diethylthiacarbocyanine iodide|3,3′Diethylthiacarbocyanine iodide_AK]]
-[[3,3'-Diethylthiacarbocyanine iodide_MA|3,3'-Diethylthiacarbocyanine iodide]]
+[[3,3'-Diethylthiacarbocyanine iodide|3,3'-Diethylthiacarbocyanine iodide_MA]]
-[[3,3'-Diethylthiacarbocyanine iodide_CF|3,3'-Diethylthiacarbocyanine iodide CF]]
+[[3,3'-Diethylthiacarbocyanine iodide CF|3,3'-Diethylthiacarbocyanine iodide_CF]]

← Older revision		Revision as of 23:21, 9 February 2017
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	[[3,3'-Diethylthiacarbocyanine iodide\|3,3'-Diethylthiacarbocyanine iodide]]		[[3,3'-Diethylthiacarbocyanine iodide\|3,3'-Diethylthiacarbocyanine iodide]]
−
−	~~[[3,3'-Diethylthiacarbocyanine iodide]]~~

	[[3,3'-Diethylthiacarbocyanine iodide CF\|3,3'-Diethylthiacarbocyanine iodide CF]]		[[3,3'-Diethylthiacarbocyanine iodide CF\|3,3'-Diethylthiacarbocyanine iodide CF]]

← Older revision		Revision as of 23:17, 9 February 2017
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	[[3,3'-Diethylthiacarbocyanine iodide]]		[[3,3'-Diethylthiacarbocyanine iodide]]
		+
		+	[[3,3'-Diethylthiacarbocyanine iodide CF\|3,3'-Diethylthiacarbocyanine iodide CF]]