SOLUSI PERSAMAAN SCHRÖDINGER PADA ATOM BAKHIDROGEN DAN BAKHELIUM MENGGUNAKAN KOMPUTER KUANTUM DENGAN 1s SLATER-TYPE ORBITAL

DIFA FARHANI HAKIM, . (2024) SOLUSI PERSAMAAN SCHRÖDINGER PADA ATOM BAKHIDROGEN DAN BAKHELIUM MENGGUNAKAN KOMPUTER KUANTUM DENGAN 1s SLATER-TYPE ORBITAL. Sarjana thesis, UNIVERSITAS NEGERI JAKARTA.

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Abstract

Perhitungan persamaan Schrödinger dengan algoritma komputer kuantum dan menggunakan fungsi gelombang 1s Slater-Type Orbital (STO) pada atom bakhidrogen dan bakhelium telah dilakukan. Penyelesaian persamaan Schrödinger secara aproksimasi menimbulkan adanya kehilangan korelasi elektron pada sistem kuantum. Selain itu, penggunaan fungsi gelombang gaussian tidak mampu mereplikasi fungsi gelombang eksak 1s, sehingga terdapat kehilangan keakuratan energi dasar sistem kuantum. Maka dari itu, pada penelitian ini digunakan algoritma komputer kuantum dan fungsi gelombang 1s STO untuk mengembalikan korelasi antar elektron dan menggunakan fungsi gelombang yang sesuai pada atom bakhidrogen dan bakhelium. Perhitungan ini dilakukan menggunakan algoritma Variational Quantum Eigensolver yang terdapat pada library qiskit. Hasil perhitungan menggunakan basis set 1s STO memperoleh peningkatan performa dibandingkan dengan menggunakan basis set STO-3G dan juga mendekati hasil perhitungan 6-31G. ***** The Schrödinger equation is calculated with a quantum computer algorithm and using the 1s Slater-Type Orbital (STO) wave function on hydrogen-like and helium-like atoms. Solving the Schrödinger equation by approximation causes the loss of electron correlation in the quantum system. In addition, the use of gaussian wave functions is not able to replicate the exact 1s wave function behavior, resulting in a loss of accuracy in the ground state energy of the quantum system. Therefore, in this study, the quantum computer algorithm and the 1s STO wave function are used to restore the correlation between electrons and use the appropriate wave function of hydrogen-like and helium-like atoms. This calculation is done using the Variational Quantum Eigensolver algorithm found in the qiskit library. The results of calculations using the 1s STO basis set obtained improved performance compared to using the STO-3G basis set and approached the results of the 6-31G calculation.

Item Type:	Thesis (Sarjana)
Additional Information:	1). Dr. Teguh Budi Prayitno, M.Si. ; 2). Yanoar Pribadi Sarwono, Ph.D.
Subjects:	Sains > Fisika Sains > Kimia
Divisions:	FMIPA > S1 Fisika
Depositing User:	Users 24352 not found.
Date Deposited:	04 Aug 2024 23:20
Last Modified:	04 Aug 2024 23:20
URI:	http://repository.unj.ac.id/id/eprint/48042

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