Quantum Chemistry - Bewerkingsoverzicht

R0889993 op 13 jan 2025 om 14:10

2025-01-13T14:10:17Z

← Oudere versie		Versie van 13 jan 2025 16:10
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	====Question 3 (6 points)====		====Question 3 (6 points)====
	# Given graph of radial wavefunction of hydrogen like atom with 3 nodes. Give the corresponding orbital.		# Given graph of radial wavefunction of hydrogen like atom with 3 nodes. Give the corresponding orbital.
	# Question about Slater determinants. Given Ф1 = /abcd>, Ф2 = /cdrs>		# Question about Slater determinants. Given Ф1 = /abcd>, Ф2 = /cdrs>. Evaluate <Ф1/F/Ф2> with F = 1-electron operator.
	Evaluate <Ф1/F/Ф2> with F = 1-electron operator.

	===3th September 2024===		===3th September 2024===

2025-01-13T14:09:40Z

← Oudere versie		Versie van 13 jan 2025 16:09
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	==Exam questions==		==Exam questions==
			=== 13th January 2025===

			====Question 1 (6 points)====
			Given: a spectrum with 2 peaks (and their given energies in cm^(-1)(16978.0cm^-1 , 16960.9cm^-1) for Sodium (Z=11) with the caption: This is the spectrum for the first excitation of the sodium atom.
			#Obtain all atomic terms and levels of both the ground state and the first excited state of the sodium atom.
			#Use the selection rules to determine which transitions are allowed.
			#Use the spectra to estimate the value of the spin-orbit coupling constant ζ for the 3p-orbital of sodium.

			====Question 2 (8 points)====
			#Show that the 2px and the 2pz functions of hydrogenlike atoms are orthogonal. (Given: real wave function of the 2px and 2pz hydrogenlike orbitals)
			#What would a trial function of the form "exp(-kr)" look like? (Given: Hamiltonian of H atom, Laplacian in spherical coordinates, use variational perturbation theory to obtain k, it should probably be like 1s of hydrogen))

			====Question 3 (6 points)====
			# Given graph of radial wavefunction of hydrogen like atom with 3 nodes. Give the corresponding orbital.
			# Question about Slater determinants. Given Ф1 = /abcd>, Ф2 = /cdrs>
			Evaluate <Ф1/F/Ф2> with F = 1-electron operator.

	===3th September 2024===		===3th September 2024===

2024-09-03T17:38:38Z

← Oudere versie		Versie van 3 sep 2024 19:38
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	====3 (6 points)====		====3 (6 points)====
	*Total wave function 3dz² van hydrogen atom given		*Total wave function 3dz² van hydrogen atom given. Obtain the angular nodes.
	Obtain the angular nodes.
	*Graph of hydrogenlike atom radial wave function. Identify to which orbital it corresponds. X-as is based on R.		*Graph of hydrogenlike atom radial wave function. Identify to which orbital it corresponds. X-as is based on R.

2024-09-03T17:37:29Z

← Oudere versie		Versie van 3 sep 2024 19:37
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	===3th September 2024===		===3th September 2024===
	=====1 (10 points)		====1 (10 points)====
	*Obtain all the possible atomic terms and levels of a d^9 electronic configuration.		*Obtain all the possible atomic terms and levels of a d^9 electronic configuration.
	*How do the atomic levels of the ground state atomic term of the d^{9} configuration split under the influence of SOCs? Order energetically the atomic levels and calculate the energy splittings. Leave the results in terms of the ~~1e^{-}~~ SOC constante.		*How do the atomic levels of the ground state atomic term of the d^9 configuration split under the influence of SOCs? Order energetically the atomic levels and calculate the energy splittings. Leave the results in terms of the one electron SOC constante.

			====2 (4 points)====
			*For the ground state of the hydrogenlike atom, show <r> = 3a/2Z.

			====3 (6 points)====
			*Total wave function 3dz² van hydrogen atom given
			Obtain the angular nodes.
			*Graph of hydrogenlike atom radial wave function. Identify to which orbital it corresponds. X-as is based on R.

	===15th January 2024===		===15th January 2024===

2024-09-03T17:28:08Z

← Oudere versie		Versie van 3 sep 2024 19:28
Regel 6:		Regel 6:

	===3th September 2024===		===3th September 2024===
	*1		=====1 (10 points)
			*Obtain all the possible atomic terms and levels of a d^9 electronic configuration.
			*How do the atomic levels of the ground state atomic term of the d^{9} configuration split under the influence of SOCs? Order energetically the atomic levels and calculate the energy splittings. Leave the results in terms of the 1e^{-} SOC constante.

	===15th January 2024===		===15th January 2024===

2024-09-03T17:22:34Z

2024-01-16T18:43:24Z

Question 1 (6 points)

← Oudere versie		Versie van 16 jan 2024 20:43
Regel 8:		Regel 8:

	====Question 1 (6 points)====		====Question 1 (6 points)====
	Given: a spectrum with 2 peaks (and their given energies in cm^(-1) for Sodium (Z=11) with the caption: This is the spectrum for the first excitation of the sodium atom.		Given: a spectrum with 2 peaks (and their given energies in cm^(-1)(16978.0cm^-1 , 16960.9cm^-1) for Sodium (Z=11) with the caption: This is the spectrum for the first excitation of the sodium atom.
	#Obtain all atomic terms and levels of both the ground state and the first excited state of the sodium atom.		#Obtain all atomic terms and levels of both the ground state and the first excited state of the sodium atom.
	#Use the selection rules to determine which transitions are allowed.		#Use the selection rules to determine which transitions are allowed.
	#Use the spectra to estimate the value of the spin-orbit coupling constant ζ for the 3p-orbital of sodium.		#Use the spectra to estimate the value of the spin-orbit coupling constant ζ for the 3p-orbital of sodium.

	====Question 2 (8 points)====		====Question 2 (8 points)====
	#Show that the 2px and the 2pz functions of hydrogenlike atoms are orthogonal. (Given: real wave function of the 2px and 2pz hydrogenlike orbitals)		#Show that the 2px and the 2pz functions of hydrogenlike atoms are orthogonal. (Given: real wave function of the 2px and 2pz hydrogenlike orbitals)

2024-01-16T18:38:46Z

Question 2 (8 points)

← Oudere versie		Versie van 16 jan 2024 20:38
Regel 14:		Regel 14:
	====Question 2 (8 points)====		====Question 2 (8 points)====
	#Show that the 2px and the 2pz functions of hydrogenlike atoms are orthogonal. (Given: real wave function of the 2px and 2pz hydrogenlike orbitals)		#Show that the 2px and the 2pz functions of hydrogenlike atoms are orthogonal. (Given: real wave function of the 2px and 2pz hydrogenlike orbitals)
	#What would a trial function of the form "exp(-kr)" look like? (Given: Hamiltonian, Laplacian in spherical coordinates)		#What would a trial function of the form "exp(-kr)" look like? (Given: Hamiltonian of H atom, Laplacian in spherical coordinates, use variational perturbation theory to obtain k, it should probably be like 1s of hydrogen))

	====Question 3 (6 points)====		====Question 3 (6 points)====
	By using Perturbation Theory, obtain the second-order energy correction due to the interaction of the 1D2 and 3P2 states of the oxygen atom.		By using Perturbation Theory, obtain the second-order energy correction due to the interaction of the 1D2 and 3P2 states of the oxygen atom.

2024-01-15T19:03:16Z

Exam questions

@@ Regel 4: / Regel 4: @@
 ==Exam questions==
 ===16th January 2023===
 ====Question 1 (6 points)====

2023-01-17T23:04:30Z

Added question for 17/1/2023

@@ Regel 4: / Regel 4: @@
 ==Exam questions==
 ===Monday 13th January 2020 (8:30 am)===
 The exam is open book, you can have your course notes, your exercises and the book "Quantum Chemistry" by Levine with you. You get 4 hours to make the exam. You write everything down and then you go to the professor for oral examination.