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3. Quantum control of coherent π\-electron ring currents in polycyclic aromatic hydrocarbons
# Quantum control of coherent π\-electron ring currents in polycyclic aromatic hydrocarbons
Authors: Hirobumi Mineo, Yuichi Fujimura
Source title: , 2017 () 
Academic year of acceptance: Abstract: We present results for quantum optimal control (QOC) of the coherent π electron
ring currents in polycyclic aromatic hydrocarbons (PAHs). Since PAHs consist of
a number of condensed benzene rings, in principle, there exist various coherent
ring patterns. These include the ring current localized to a designated benzene
ring, the perimeter ring current that flows along the edge of the PAH, and the
middle ring current of PAHs having an odd number of benzene rings such as
anthracene. In the present QOC treatment, the best target wavefunction for
generation of the ring current through a designated path is determined by a
Lagrange multiplier method. The target function is integrated into the ordinary
QOC theory. To demonstrate the applicability of the QOC procedure, we took
naphthalene and anthracene as the simplest examples of linear PAHs. The
mechanisms of ring current generation were clarified by analyzing the temporal
evolutions of the electronic excited states after coherent excitation by UV
pulses or (UV\+IR) pulses as well as those of electric fields of the optimal
laser pulses. Time\-dependent simulations of the perimeter ring current and
middle ring current of anthracene, which are induced by analytical electric
fields of UV pulsed lasers, were performed to reproduce the QOC results.
Link: [https://aip.scitation.org/doi/10\.1063/1\.5004504](https://aip.scitation.org/doi/10.1063/1.5004504)
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Quantum control of coherent π-electron ring currents in polycyclic aromatic hydrocarbons | Khoa học - Công nghệ Nhảy đến nội dung x Đại học Tôn Đức Thắng  English Khoa học - Công nghệ Main navigation Giới thiệu Nghiên cứu Sản phẩm Nguồn lực Giảng viên/Viên chức  Sinh viên  Cựu sinh viên Search Publications Breadcrumb Trang chủ  - Quantum control of coherent π-electron ring currents in polycyclic aromatic hydrocarbons Quantum control of coherent π-electron ring currents in polycyclic aromatic hydrocarbons Authors: Hirobumi Mineo, Yuichi Fujimura Source title: ,  2017  () Academic year of acceptance: Abstract: We present results for quantum optimal control (QOC) of the coherent π electron ring currents in polycyclic aromatic hydrocarbons (PAHs). Since PAHs consist of a number of condensed benzene rings, in principle, there exist various coherent ring patterns. These include the ring current localized to a designated benzene ring, the perimeter ring current that flows along the edge of the PAH, and the middle ring current of PAHs having an odd number of benzene rings such as anthracene. In the present QOC treatment, the best target wavefunction for generation of the ring current through a designated path is determined by a Lagrange multiplier method. The target function is integrated into the ordinary QOC theory. To demonstrate the applicability of the QOC procedure, we took naphthalene and anthracene as the simplest examples of linear PAHs. The mechanisms of ring current generation were clarified by analyzing the temporal evolutions of the electronic excited states after coherent excitation by UV pulses or (UV+IR) pulses as well as those of electric fields of the optimal laser pulses. Time-dependent simulations of the perimeter ring current and middle ring current of anthracene, which are induced by analytical electric fields of UV pulsed lasers, were performed to reproduce the QOC results. Link: https://aip.scitation.org/doi/10.1063/1.5004504 Công bố mới  Bằng sáng chế  Tạp chí khoa học  Hội nghị-Hội thảo Viện nghiên cứu  Nhóm nghiên cứu  NCKH Sinh viên  NCKH Giảng viên Quỹ phát triển NCKH  Dịch vụ KHCN  Hợp tác quốc tế  Tài trợ nghiên cứu Giới thiệu  Liên hệ Đại học Tôn Đức Thắng Số 19 Nguyễn Hữu Thọ, Phường Tân Phong, Quận 7, TP. Hồ Chí Minh, Việt Nam.  Kết nối với TDTU Copyright ©  Ton Duc Thang University