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Seminar on Quantum Chemical Calculations

2p.m. – 4 p.m., 22nd March, 2019.
Meeting Room C, TDTU; 19 Nguyen Huu Tho, Tan Phong Ward, District 7, Ho Chi Minh City;

Department for Management of Science and Technology Development (DEMASTED) in Ton Duc Thang University would like to provide information about the periodic seminar of Computational Chemistry (ComChem) Research Group as follows:

After the advent of the Hartree–Fock method, Møller-Plesset Perturbation Theory (MP) is one of the methods used in calculating quantum chemistry in the field of Computational Chemistry. It improves on the Hartree-Fork method by adding electron correlation effects by means of Rayleigh–Schrödinger perturbation theory (RS-PT) usually to second (MP2), third (MP3) or fourth (MP4) order. In particular, second-order Møller-Plesset perturbation theory (MP2) is one of the simplest and most useful levels of theory beyond the Hartree-Fock. In this seminar, the presenter will make a brief introduction of the Møller-Plesset perturbation method, then present some valid results of quantum chemical calculations using the MP method, and compare those with equivalents, which are produced by other calculation methods.

Presenter: Dr. Nguyen Minh Tam, the assistant professor of the Computational Chemistry Research Group at TDTU.

Time: 2p.m. – 4 p.m., 22nd March, 2019.

Venue: Meeting Room C, TDTU; 19 Nguyen Huu Tho, Tan Phong Ward, District 7, Ho Chi Minh City;

Participants: Presidential board, lecturers, post graduate students, TDTU students who are interested in this field.

Please kindly register to the Organizing Committee before March 21st, 2019 via phone: 028 37755037 or email: ngominhhoang@tdtu.edu.vn.