Exam_4c_Key - C Chemistry 3502/5502 Exam IV November 25,...

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C NAME: ________________________________________________________________ Chemistry 3502/5502 Exam IV November 25, 2009 1) Fill in the blank on each question with the correct answer, by letter, from the list provided on the last page of the exam (you may tear the list off if you like). 2) There is one correct answer to every fill-in-the-blank problem. There is no partial credit. No answer will be used more than once. There are answers that are not used, however. 3) On the short-answer problem, show your work in full. 4) You should try to go through all the problems once quickly, saving harder ones for later. 5) There are 24 fill-in-the-blank problems. Each is worth 3 points. The short-answer problem is worth 28 points. 6) There is no penalty for guessing. 7) Please write your name at the bottom of each page. 8) Please mark your exam with a pen, not a pencil. If you want to change an answer, cross your old answer out and circle the correct answer. Exams marked with pencil or correction fluid will not be eligible for regrade under any circumstances. Score on Next Page after Grading
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2 NAME: ________________________________________________________________ Fill in the numbered boxes on the HF calculation flowchart (from lecture 28) with the appropriate steps from the answer list (use the letters—don’t write the phrases). Choose a molecular geometry q (0) Does the current geometry satisfy the optimization criteria ? Output data for optimized geometry Output data for unoptimized geometry yes no yes no Choose new geometry according to optimization algorithm no yes 1 2 3 4 5 6 7 8 B X L Z J U EE R
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3 NAME: ________________________________________________________________ 9. A generic density matrix element P μ ν : ___ H ____ 10. The exchange integral K ab involving orbitals a and b : ___ Y ____ 11. An operator H = h 1 + h 2 + h 3 where h 1 ψ 1 = 4 ψ 1 , h 2 ψ 2 = 2 ψ 2 , and h 3 ψ 3 = 1 ψ 3 .
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This note was uploaded on 12/18/2010 for the course CHEM 3502 taught by Professor Staff during the Fall '08 term at Minnesota.

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Exam_4c_Key - C Chemistry 3502/5502 Exam IV November 25,...

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