CHEMISTRY 331 / S18
Quantum and Statistical Mechanics 



Prof. Andrew J. Pounds, Ph.D. 


Office: 		 Rm. 438 Godsey Science Center, (478) 301-5627


e-mail: 		 pounds_aj@mercer.edu


Alt Phone (SMS): 		  (478) 227-3444 


Office Hours: 		 WF 10 a.m., F 3 p.m. (or by appointment)


``During recent years it has come to be more widely recognized in our Universities and Colleges that the course of study for students of Chemistry, no matter what special branch of the subject they may intend to devote themselves later, cannot be regarded as complete or satisfactory unless it include both systematic and practical Physical Chemistry.''1



CHM 331 is the first course in a two-semester sequence which introduces the application of physical and mathematical methods to the investigation of chemical systems. CHM 331 will introduce students to the theoretical and experimental foundations of quantum theory as it applies to atomic structure, molecular electronic structure, symmetry, and spectroscopy. Students in CHM 331 will also be exposed to the theoretical and experimental bases of statistical mechanics and their relevance to chemical systems. Throughout the semester students will be introduced to topics from advanced mathematics necessary to solve problems in physical chemistry. Students are expected to already have a foundation in chemistry (CHM 111/112), single variable differential and integral calculus (MAT 191/192), as well as classical dynamics, electromagnetism, and wave phenomena (PHY 161/162). Upon completion of this course, a student will demonstrate competence in each of the following areas: 


Class Meeting Times and Locations 


Lecture: 		 MWF 12:00-12:50 p.m., GSC Room 450 or 218 





Course Materials 

Physical Chemistry, Engel and Reid, 3$^{\rm rd}$ ed.,  

The Chemistry Maths Book, Steiner, 2$^{\rm nd}$ ed., 


Scientific Calculator 





Course Structure

Portions from 20 chapters of the text will be covered during the semester. Supporting mathematical material will also be used from the ancillary text. Additional material will be provided by the instructor as applicable. The lecture time will be used to expound on and augment the texts, discuss problem solving strategies, and to learn how to effectively utilize the provided computational tools. Students are responsible for all material covered in class, material from the textual sections denoted by the instructor and other materials as indicated by the instructor. Exams will consist of two evening tests and the final. There will be regularly assigned homework, online graded homework, and three self-guided capsules. 


Grading 



Evening Exams
50%



Homework
15%



Capsules
15%



Final Exam
20%



 
 



Total Possible
100%







 		 The following grading scale is assured but may be slightly lowered based on test results. 

A 		 $\geq$88%

B 		 $\geq$76%

C 		 $\geq$64%

D 		 $\geq$52%

F 		 $<$52%





General Information

Honor Code: All students in CHEM 331 are expected to adhere to the Mercer University Honor Code. Any suspected violations will be reported to the Honor Council for further investigation.

Attendance: Attendance will be taken the first 10 class periods. Attendance will not be taken after that poing. Students are expected to be in class and are accountable for all material covered in class as well as any announcements made during the lecture period. If you know that you are going to miss class, please send me a text or e-mail to let me know about your absence.

Missed Exams: Anyone missing an exam for any reason (personal illness, death in the immediate family, or other emergency) must notify Dr. Pounds in advance. The absence will be considered unexcused otherwise. Make-up exams will be individually scheduled.

Partial Credit: Partial credit will not be awarded on any exam or homework unless individuals show their work and clearly delineate how they arrived at their answers.

Re-grading Policy: If a student suspects that an error was made in the grading of a submitted work, they may return the paper for re-grading with the understanding that the entire work will be re-graded and not only the portion in question.

Exams and Final: Two exams and a final will be given. The in-class portion of the exams will be closed note/closed book and will be multiple choice. The take-home portions of the exam will be open-resource exams where ``resource'' refers to any available non-living item which meets the approval of the instructor. Tentative exam dates are found in the course schedule.

Homework: Students are encouraged to work together on homework assignments. Each person, however, must turn in their own assignments in their own words. Submitted work must be turned in USING ONLY THE FRONT SIDE OF THE PAPER with the problems IN THE ORDER THAT THEY APPEAR ON THE ASSIGNMENT SHEET. Students submitting work not adhering to this formatting will be asked to resubmit the work and incur any late penalties assessed. In some cases students will be asked to submit items electronically.

Capsules: There will be three independent study Capsules submitted for grading. These capsules will deal with
  1. using computational tools for mathematics (selections from Appendix A and Steiner),
  2. molecular symmetry, point groups and relevant group theory (portions of Chapter 27 and Steiner)
  3. computational chemistry (portions of Chapter 26 and notes from Dr. Pounds)
The dates for each of the capsules will be determined when they are assigned.

Written Homework Grading Policy: Homework problems will typically be divided into two sections: book problems and special problems from Dr. Pounds. Selected problems will be graded on a three point scale as follows: 3 (essentially correct), 2 (minor errors or omissions), 1 (major errors or omissions), 0 (no effort). The composite score will then be converted to a percentage. Homework will be considered late if it is not turned in by 5:00 p.m. on the date due. Late homework will be penalized 33% per day.

American Disability Act: ``Students requiring accommodations or modifications for a disability should inform the instructor at the close of the first class meeting or as soon as possible. The instructor will refer you to the ACCESS and Accommodation Office to document your disability, determine eligibility for accommodations under the ADAAA/Section 504 and to request a Faculty Accommodation Form. Disability accommodations or status will not be indicated on academic transcripts. In order to receive accommodations in a class, students with sensory, learning, psychological, physical or medical disabilities must provide their instructor with a Faculty Accommodation Form to sign. Students must return the signed form to the ACCESS Director. A new form must be requested each semester. Students with a history of a disability perceived as having a disability or with a current disability who does not wish to use academic accommodations are also strongly encouraged to register with the ACCESS and Accommodation Office and request a Faculty Accommodation Form each semester. For further information, please contact Katie Johnson, Director and ADA/504 Coordinator, at 301-2778 or visit the ACCESS and Accommodation Office website at http://www.mercer.edu/disabilityservices.''

Electronic Submission of Materials: ``Students bear sole responsibility for ensuring that papers or assignments submitted electronically to a professor are received in a timely manner and in the electronic format(s) specified by the professor. Students are therefore obliged to have their e-mail client issue a receipt verifying that the document has been received. Students are also strongly advised to retain a copy of the dated submission on a separate disk. Faculty members are encouraged, but not required, to acknowledge receipt of the assignment.''

Cell Phones and Pagers: ``Out of courtesy for all those participating in the learning experience, all cell phones and pagers must be turned off, or placed on vibrate, before entering any classroom, lab, or formal academic or performance event.''

E-mail Listserve: I communicate heavily with the class (and encourage you to do the same) via an e-mail listserve which I maintain myself. Please subscribe to the listserve by going to
http://theochem.mercer.edu/mailman/listinfo/chm331
and filling out the required fields. Once subscribed, you may send e-mail to the class by using the e-mail address chm331@theochem.mercer.edu I personally moderate all requests to limit e-mail spam.

Course Evaluations: In an ongoing effort to improve the quality of instruction, each student enrolled in this course is required to complete an end-of-semester course evaluation. Details about the evaluation process will provided at the end of the term.

Final Exam: The final exam is scheduled for Monday, April 30th at 2 p.m.

Tentative Class Schedule$^1$
Week Starting Chapter Sections Lecture and Problem Solving Topics
January 7$^{\rm th}$ Chapter 12 From Classical to Quantum Mechanics
  Chapter 13 The Schrödinger Equation
    Complex Numbers and Differential Equations
January 14$^{\rm th}$   MLK Holiday (Monday)
  Chapter 14 The Postulates
    Observables and Expectation Values
    Superpositions of Eigenstates
January 21$^{\rm st}$ Chapter 15 Quantum Mechanics on Simple Systems
    Particles in 1D, 2D, and 3D Boxes
January 28$^{\rm th}$ Chapter 16 PIB applied to Real World Scenarios
    Finite Well Potentials, Conjugated Molecules, Tunneling
February 4$^{\rm th}$ Chapter 17 Commuting and Noncommuting Operators
    Heisenberg Uncertainty Principle
February 11$^{\rm th}$ Chapter 18 Quantum Models for Vibration and Rotation
    The Harmonic Oscillator and Rigid Rotor
    Spherical-Polar Coordinates and Spherical Harmonics
February 18$^{\rm th}$ Chapter 19 EXAM ONE, 2/21/18
    Vibrational and Rotational Spectroscopy
    Selection Rules and Normal Modes
February 25$^{\rm th}$ Chapter 20 The Hydrogen Atom
    Solving the Schrdinger Equation for Hydrogen, Radial and Angular Components
March 4$^{\rm th}$   SPRING BREAK
March 11$^{\rm th}$ Chapter 21 Many Electron Atoms
    Electron Spin
    Approximation Method 1 - Variational Method
    Antisymmetry / Matrix Eigenvalue Problems / Hartree-Fock Theory
  Chapter 22 Atomic Spectroscopy
March 18$^{\rm th}$ Chapter 23 The Chemical Bond in Diatomic Molecules
    Approximatoin Method 2 - Born-Oppenheimer Approximation
    Wavefunctions for Simple Systems
    Homonuclear and Heteronuclear Diatomics
    Bond Order, Bond Energy, Bond Length
    LAST DAY FOR COURSE WITHDRAWAL 3/22/18
March 26$^{\rm th}$ Chapter 24 Molecular Structure and Energy Levels for Polyatomic Molecules
    Lewis and VSEPR Models, Constructing Hybrid Orbitals
    Approximation Method 3 - Hückel MO Theory
    GOOD FRIDAY (3/30/18)
April 2$^{\rm nd}$ Chapter 25 Electronic Spectroscopy
    Molecular Term Symbols, Transitions
    Fluorescence, Phosphoresence, and Intersystem Crossing
    BEAR DAY (4/6/18)
April 8$^{\rm th}$   EXAM TWO, 4/11/18, 6 p.m.
  Chapter 29 Probability, Discrete and Continuous Probability Distribution Functions
    Approximation Method 4 - Stirling's Approximation
April 15$^{\rm th}$ Chapter 30 The Boltzmann Distribution
  Chapter 31 Ensembles and Molelcular Partition Functions
April 22$^{\rm nd}$ Chapter 32 Statistical Thermodynamics and Chemical Equilibrium
    Heat Capacity, Entropy, Enthalpy, Free Energy
April 29$^{\rm th}$   FINAL EXAM, 4/30/18, 2 p.m., (Monday)
$^1$ I reserve the right to modify this schedule as situations warrant.

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Footnotes

... Chemistry.''1
Alex Findlay.
Practical Physical Chemistry, 1906

Andrew J. Pounds 2018-01-09