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CHEM 328

Quantum Chemistry II

Quantum Chemistry II is where the single-particle Schrödinger picture from CHEM 327 gets extended to the real objects chemists care about: many-electron atoms and molecules, with spin, antisymmetry, and the Pauli principle taken seriously. You'll spend the semester working through variational and perturbation problems, building Slater determinants, running Hartree-Fock and Hückel calculations by hand, and reading MO correlation diagrams, assessed through three homework-quiz cycles plus two midterms and a final. The payoff is that you finish able to read the literature on ab-initio and semi-empirical electronic structure methods, which is the foundation for computational chemistry, spectroscopy, and most physical-chemistry electives that follow.

Credit3ECTS5FacultyFaculty of ScienceBölümChemistryPreCHEM 327 or PHYS 327MüfredatY3 Bahar

Değerlendirme 100% — 9 adım

3%
7%
20%
3%
7%
20%
3%
7%
30%
Homework HW-1, HW-2, HW-3 9%
Quiz Q-1, Q-2, Q-3 21%
Midterm MT-1, MT-2 40%
Final Final 30%

Önerilen kaynaklar 4 kitap

📖
Önerilen
Quantum Chemistry
D.A. McQuarrie, 2nd
University Science Books
📖
Önerilen
Introduction to Quantum Mechanics in Chemistry
Ratner and Schatz
2001 · Prentuce Hall
📖
Önerilen
Elementary Methods of Molecular Quantum Mechanics
V. Magnasco, free e-book through Bilkent Library
📖
Önerilen
Quantum Chemistry
I. N. Levine, Prentice Hall

Haftalık müfredat 14 hafta

Hafta 1
Review of Wave Functions, Operators , Expectation Values
Hafta 2
Approximate Methods
Hafta 3
Variaational Method
Hafta 4
Perturbation Theory
Hafta 5
First and Second Order Perturbation Theory
Hafta 6
Atomic Units and Many Electron Atoms
Hafta 7
He-Atom: Singlet and triplet states
Hafta 8
Many Electron wavefunctions, Hartree-Fock equations, SCF procedure
Hafta 9
Atomic structure. Spin orbit coupling. Fine and hyperfine structure. Hund's rules
Hafta 10
Introduction to Molecular Structure: Born-Oppenheimer approximation, potential energy surface, vibrational and rotational structure
Hafta 11
Molecular Orbitals of Hydrogen molecular ion. LCAO approximation.
Hafta 12
Qualitative MO theory for diatomic molecules. MO correlation diagrams, symmetries. Huckel method.
Hafta 13
Hartree-Fock method for molecules. Basis sets, LCAO-MO-SCF approach. Population analysis. Semi-empirical methods.
Hafta 14
Quantum Mechanics and Spectroscopy

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Geçmiş GPA dağılımı 19 dönem · ort. 2.39

DönemCourse CPA
2024-2025 Spring 2.74 1 sec · 27 öğr
2023-2024 Spring 2.67 1 sec · 20 öğr
2022-2023 Spring 2.19 1 sec · 20 öğr
2021-2022 Spring 2.69 1 sec · 20 öğr
2020-2021 Spring 2.24 1 sec · 23 öğr
2019-2020 Fall 2.56 1 sec · 10 öğr
2019-2020 Spring 3.09 1 sec · 12 öğr
2018-2019 Spring 1.91 1 sec · 32 öğr
2017-2018 Spring 2.88 1 sec · 18 öğr
2016-2017 Spring 2.26 1 sec · 15 öğr

Aggregate course GPA — Bilkent STARS'tan public data. Hoca-bazlı per-section detayı için STARS evaluation report →. Öğrenci anket cevapları KVKK kapsamında defter'de tutulmaz.

⚠️ FZ engelleyen şartlar

1) 80% Attendance to Lectures, 2) turn in 80 % of the Homeworks, 3) 33.33% performance in Midterms, Quizzes and Homeworks (i.e., collect at least 25 points out of 75).

Hocalar 1 bu dönem · 2 geçmiş

Bu dönem (2025-2026 Spring) · 1 section
Şefik Süzer
Geçmişte ders veren (2 kişi)
Halil İbrahim Okur, Zeki Cemal Kuruoğlu