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All Journal Jurnal Ilmu Pertanian Indonesia Jurnal Riset dan Kajian Pendidikan Fisika JURNAL FISIKA Jurnal Matematika & Sains Sinergi Journal of Mathematical and Fundamental Sciences Journal of Engineering and Technological Sciences Phi : Jurnal Pendidikan Fisika dan Terapan Jurnal Spektra JPSE (Journal of Physical Science and Engineering) JIPF (Jurnal Ilmu Pendidikan Fisika) Jurnal Pendidikan Fisika Spektra: Jurnal Fisika dan Aplikasinya Paedagoria : Jurnal Kajian, Penelitian dan Pengembangan Kependidikan THABIEA (JOURNAL OF NATURAL SCIENCE TEACHING) JPMI (Jurnal Pendidikan Matematika Indonesia) Journal of Education and Instruction (JOEAI) Kasuari: Physics Education Journal (KPEJ) Jurnal Teori dan Aplikasi Fisika Jurnal Penelitian dan Pengkajian Ilmu Pendidikan: e-Saintika Indonesian Review of Physics (IRiP) Jurnal Riset Pendidikan Fisika IJPD (International Journal Of Public Devotion) PROSIDING SEMINAR NASIONAL FISIKA (E-JOURNAL) Indonesian Journal of Physics (IJP)
Sparisoma Viridi
Institut Teknologi Bandung
Aerospace Engineering Agriculture, Biological Sciences & Forestry Humanities Astronomy Biochemistry, Genetics & Molecular Biology Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Earth & Planetary Sciences Education Electrical & Electronics Engineering Energy Engineering Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Physics Social Sciences Other

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Journal : Journal of Mathematical and Fundamental Sciences

 1 
Ab Initio Calculation of UV-Vis Absorption Spectra of a Single Chlorophyll a Molecule: Comparison Study between RHF/CIS, TDDFT, and Semi-Empirical Methods Veinardi Suendo; Sparisoma Viridi
Journal of Mathematical and Fundamental Sciences Vol. 44 No. 2 (2012)
Publisher : Institute for Research and Community Services (LPPM) ITB

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/itbj.sci.2012.44.2.1

Abstract

Chlorophyll a is the most abundant pigment on Earth responsible for trapping light energy to perform photosynthesis in green plants. This molecule has been studied for many years from different points of interest with both experimental and theoretical methods. In this study, the Restricted Hartree-Fock/Configuration Interaction Single (RHF/CIS), Time-Dependent Density Functional Theory (TDDFT), and several semi-empirical methods (CNDO/S and ZINDO) calculations were carried out to reconstruct the UV-Vis absorption spectra of chlorophyll a. To some extent, the calculation results based on the single-molecule approach succeeded to reconstruct the absorption spectra, but they required to be rescaled to fit the experimental results. In general, the semiempirical methods provide a better energy scaling factor. However, they lack vertical transition fine features with respect to the spectrum obtained experimentally. In this case, the ab initio calculations provided more complete features, especially the TDDFT with high-level basis sets, which also has a good accuracy with regards to the transition energies. The contribution of the ground state and excited state orbitals in the main vertical transitions is discussed based on the delocalized nature of the wave functions and the presence of solvents using the polarizable continuum model (PCM).
Thickness Effect on Fluctuation of Electron States in Thin Film and Implications for Lattice Constant Change Due to Size Reduction Nadya Amalia; Sparisoma Viridi; Mikrajuddin Abdullah
Journal of Mathematical and Fundamental Sciences Vol. 49 No. 3 (2017)
Publisher : Institute for Research and Community Services (LPPM) ITB

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/j.math.fund.sci.2017.49.3.2

Abstract

We propose a model for predicting the fluctuation of electron states in thin films as a function of film thickness. The model is derived based on the assumption of the existence of potential barrier fluctuation on the film surface. Since the wave functions of electrons in the film are determined by the boundary conditions of the potential on the film surface, the potential fluctuation on the film surface implies fluctuation of the electron states in the film. The model was extended to predict the effect of size on the lattice constant of thin films or nanoparticles.
Co-Authors A.A. Ketut Agung Cahyawan W Abdul Waris Ahmad Suryadi, Ahmad Ahmad Swandi Alamta Singarimbun Amalia, Nadya Arief Fauzan Arsyad, Susalti Nur Asdar Asdar Asifa Asri Aufa Nu’man Fadhilah Rudiawan Aufa Numan Fadhilah Rudiawan Bergas Bimo Branarto Budi Dermawan Budi Dermawan Bunga Dara Amin Burhan Burhan Chi-Hung Chang Cut Novianti Rachmi, Cut Novianti Dani Irawan Dasapta Erwin Irawan, Dasapta Erwin Deny Juanda Puradimaja Dewi Muliyati Dimas P. P. A. Dimas Praja Purwa Aji, Dimas Praja Purwa Dwi Irwanto Erkata Yandri Erlina Erlina Euis Sustini Fairusy Fitria Haryani Fauzan, Arief Freddy Haryanto Freddy Permana Zen Hari Anggit Cahyo Wibowo, Hari Anggit Cahyo Hendra, Nadhira Azzahra Hirofumi Notsu Ida Kaniawati Idam Arif Inge M. Sutjahja Iren, Febrianti Ismi Yasifa Ismi Yasifa Jainuddin Jainuddin Juneman Abraham juwita sari Khairil Anwar Khairil Anwar Koji Morata Kurnia Novita Sari Lilik Hendrajaya M. Rizqie Arbie Mamat Rokhmat Mikrajuddin Abdullah Mikrajuddin Abdullah Mikrajuddin Abdullah Mitra Djamal Moch Tanzil Multazam Muhammad Nur Tajuddin Muhammad Taqwin Mukti, Rino Rakhmata Mulyaningsih, Indrya Munir, Rahmawati Munir, Rahmawati Mutahharah Hasyim, Mutahharah Muziibu Alfisyah Nadya Amalia Nadya Amalia Nadya Amalia Natalia Eka Prasetia Nazla Innaya Nazla Innaya Novitrianc Novitrianc Nur Asiah Aprianti Nur Faizin Nurhayati Nurhayati Nurhayati Nurhayati Nurhayati Nurhayati Pariabti Palloan Putri Mustika W. Rahmadhanningsih, Sri Rahmayanti, Handika Dany Ramadhani Eka Putra Risky Afandi Putri Risky Afandi Putri Rizal F. Hariadi RIzal Kurniadi Runniarsiti Runniarsiti S. Sutisna Sabaryati, Johri Septian Ulan Dini Siti Nurul Khotimah Siti Nurul Khotimah Siti Nurul Khotimah Sitti Balkis Sri Rahmadhanningsih Sri Rahmadhanningsih Sri Rahmadhanningsih Sri Rahmadhanningsih Sri Rahmadhanningsih Sri Rahmadhanningsih Sutisna, S. Trise Nurul Ain Veinardi Suendo Wahyu Hidayat Wahyu Srigutomo Widayani Widayani Widya Meiriska Zaki Suud