Ders Öğretim Planı

Ders Kodu Ders Adı Ders Türü Yıl Dönem AKTS
ENNT609 Quantum Mechanıcs And Applıcatıons 927003 1 2 7.5

Dersin Amacı

After completing the course, the student will grasp the fundamental principles of quantum mechanics and be able to apply them to understand and predict the structure of atoms and molecules. The students will also be able to interpret the rotational-vibrational and electronic spectra of diatomic molecules and infer molecular properties

Dersin Veren Öğretim Görevlisi/Görevlileri

Prof. Dr. Metin AYDIN

Ön Koşul Dersleri

Yok

Önerilen Diğer Hususlar

Yok

Ders Kitabı / Malzemesi / Önerilen Kaynaklar

1) Attila Szabo, Neil S. Ostlund. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Reprint of the McGraw-Hill Publishing Company, New York, 1989 edition 2) Frank L. Pilar. Elementary Quantum Chemistry, Second Edition. Reprint of the McGraw-Hill Publishing, New York, 1990 second edition. 3) Ideas of Quantum Chemistry. Edit. Lucjan Piela, Elsevier,2007 4) Angel, T. (2010) Quantum Chemistry and Spectroscopy. (2nd edition) ISBN: 0-321-63781-X pearson. 5). Collin, N. Banwell and Elaine M. McCash (1997) Fundamentals of Molecular Spectroscopy. (4th edition) ISBN 0-07-707976-0 London: McGraw-Hill. 6). Atkins, P. and Paula, J.D. (2006) Atkin’s Physical Chemistry. (8th Edition) ISBN 9780198700722 London: Oxford university Press. 7) J. J. Sakurai, “Modern Quantum Mechanics”, 2nd Edition, Addison-Wesley, 2010. 8) Steven Weinberg, “Lectures on Quantum Mechanics”, Cambridge University Press, 2012. USEFUL and /OR INTERESTING LINKS: Theoretical Chemistry: A Self-Guided Introduction for College Students: http://simons.hec.utah.edu/TheoryPage/index.html. Computational Chemistry Teaching Modules: http://www.chem.swin.edu.au/modules/index.html Computational Chemistry Resources: http://www.chem.swin.edu.au/chem_ref.html Computational Chemistry List (discussions): http://ccl.osc.edu/chemistry.html Advanced Molecular Orbital Lecture Topics from the Center for Computational Chemistry, University of Georgia: http://ccl.osc.edu/chemistry.html Mathematical Challenges in Theoretical Chemistry: http://www.nap.edu/readingroom/books/mctcc/ Computational Chemistry Group at University of Minnesota: http://comp.chem.umn.edu/. NIST: Computational Chemistry Comparison and Benchmark Database: http://srdata.nist.gov/cccbdb/ Engineering Computing (EC): http://www-ec.njit.edu

Dersin Sunulduğu Dil

İngilizce

Staj Durumu

Yok

Dersin İçeriği

This course will discuss the basic concepts and principles of quantum chemistry. It covers: Important Events That Led to the Discovery of Quantum Mechanics: black-body radiation, Planck distribution, heat capacities (Dulong and Petit’s law, Einstein's and Debye’s theories), the photoelectric effect, the Compton effect, the Bohr model of the atom, wave-particle duality, and the uncertainty principle; the dynamic of microscopic systems: the postulates of quantum mechanics, the solution of the Schrödinger Equation for: potential barriers and tunneling, particle in the box, vibrational and rotational motions; the structure and spectra of hydrogenic and many-electron atoms: singlet-triplet states, the effect of magnetic field, spin-orbit coupling, the term symbols and selection rules; molecular orbital approximation for polyatomic systems, and the Hückel approximation and delocalization energy.

Değerlendirme

# Etkinlikler Adet Yuzde Katkısı Yarıyıl İci Etkinlik Yıl Sonu Etkinlik
90 Yarıyıl (Yıl) İçi Etkinlikleri 0 50
91 Yarıyıl (Yıl) Sonu Etkinlikleri 0 50
10 Tartışma 1 25 1
20 Rapor Hazırlama 1 15 1
21 Rapor Sunma 1 30 1
54 Ev Ödevi 1 30 1
41 Proje Sunma 1 100 1

Ders İş Yükü Verisi

# Etkinlikler Adet Süresi(saat) Toplam İş Yükü(saat)
5 Derse Katılım 14 3 42
9 Problem Çözümü 6 3 18
10 Tartışma 4 1 4
20 Rapor Hazırlama 5 10 50
21 Rapor Sunma 5 1 5
22 Proje Hazırlama 1 15 15
23 Proje Sunma 1 1 1
31 Ödev Problemleri için Bireysel Çalışma 10 3 30
54 Ev Ödevi 5 5 25

Haftalık Ders İçeriği

Hafta Teorik Uygulama Laboratuar Ders Notları
1 A short review of classical mechanics
2 Important events that led to the discovery of Quantum Mechanics: black-body radiation, Planck distribution, heat capacities (Dulong and Petit’s law, Einstein's and Debye’s theories),
3 The photoelectric effect, the Compton effect, the Bohr model of the atom, wave-particle duality, and the uncertainty principle;
4 The dynamic of microscopic systems: the postulates of quantum mechanics,
5 Apply the postulates of quantum mechanics to 1D, 2D, and 3D motions of particles. Use the result to predict the absorption wavelength of simple unsaturated molecules
6 The solution of the Schrodinger equation for a particle travelling through a potential barrier and use the boundary conditions to infer the wavefunction. Calculate the transmission probability.
7 The solution of the Schrodinger equation for the hydrogen atom, separate the variables and solve the angular and radial parts of the wavefunction.
8 The solution of the Schrodinger equation for the harmonic and unharmonic oscillators, separate the variables and solve the angular part of the wavefunction
9 Determine the bond length from the rotationally resolved experimental spectrum of diatomic molecule
10 The structure and spectra of hydrogenic and many-electron atoms: singlet-triplet states,
11 The effect of magnetic field, spin-orbit coupling,
12 The term symbols and selection rules;
13 Molecular orbital approximation for polyatomic systems,
14 Hückel approximation and delocalization energy.
15
16

Dersin Öğrenme Çıktıları

# Öğrenme Çıktı Id Açıklama
1 1238299 To learn the basic concepts and postulates of quantum mechanics
2 1238300 To learn how to apply quantum mechanics to system of identical particles
3 1238301 To learn.Application of the principles of quantum mechanics to molecular methods
4 1238302 Write the Schrodinger equation for the hydrogen atom, separate the variables and solve the angular part of the wavefunction
5 1280027 Write the Schrodinger equation for rotational and vibrational motions of molecules.
6 1280028 Analyze and manipulate rotational, vibrational and electronic spectra and data obtained from these spectra
7 1280029 Demonstrate clear understanding and mental picture of principles and processes involved in molecular spectroscopy and derivation of molecular quantities from spectroscopic data.
8 1280030 Learning experimental basis of quantum mechanics.

Bölüm Program Çıktıları

# Program Çıktı Id Açıklama