Oral Sessions

Friday, September 27 (Starting at 9:00)

For each presentation, the alphabet in the Presentation Number indicates the location, the first digit the day of the presentation (the 1st, 2nd, 3rd, or 4th day of the meeting), and the last two the order within each day for that venue.

Friday Morning Sessions(September 27, starting at 9:00)

Venue A

[Gas phase]

9:00-9:18 4A01 Studies of helical reaction pathway of ortho phenylene derivatives
(Meiji Univ.)*Azusa Muraoka
9:18-9:36 4A02 Observations of atmospheric greenhouse gases with a Fourier transform spectrometer onboard GOSAT (Greenhouse gases Observing SATellite)
(National Institute for Environmental Studies)*Isamu Morino,Makoto Inoue,Kumi Nakamae,Nobuhiro Kikuchi,Yukio Yoshida,Osamu Uchino,Tatsuya Yokota
9:36-9:54 4A03 Analysis of near-infrared spectroscopic data of tritiated water
(Microwave Laboratory in the University of Toyama1,Hydrogen isotpe research center,University of Toyama2)*Hiroki Maki1,Takuya Yamamoto1,Kaori Kobayashi1,Masanori Hara2,Yuji Hatano2
9:54-10:12 4A04 First-principle simulations for matrix-isolation vibrational spectra of noble gas compounds: applications to HXeCl and XeBeO
(Graduate School of Chem. Sci. Eng., Hokkaido Univ.1,Graduate School of Science, Hokkaido Univ.2)*Keisuke Niimi1,Akira Nakayama2,Yuriko Ono2,Tetsuya Taketsugu2
10:12-10:30 4A05 Pressure and Isotopic effects on the ultraviolet Spectra of SO2
(Sophia University Faculty of Science and Engineering1,Department of Earth and Planetary Sciences, Tokyo Institute of Technology2,Chemistry Department The University og Copenhagen3)*Sebastian Danielache1,Yoshiaki Endo2,Tomoya Suzuki1,Yuichiro Ueno2,Shinkoh Nanbu1,Matthew Johnson3

[Clusters/Particles/Nanostructures]

10:48-11:06 4A07 Structures of iron oxide cluster ions studied by ion mobility mass spectrometry
(Faculty of Science, Tohoku Univ.1,Graduate School of Science, Tohoku Univ.2)Tatsuya Komukai1,*Keijiro Ohshimo2,Fuminori Misaizu2
11:06-11:24 4A08 Development of Ion Mobility Measurement System and Analysis Program
(Department of Chemistry, Toho University)*Toshiki Sugai,Yasuhiro Hiroshiba,Ninako Mikami
11:24-11:42 4A09 Electronic properties of superatomic nanoclusters and nanocluster assemblies
(JST-ERATO1,Keio Univ.2)*Takeshi Iwasa1, 2,Atsushi Nakajima2, 1
11:42-12:00 4A10 Dynamics of CH3F-(ortho-H2)n clusters in solid para-H2 crystal studied by pump and probe spectroscopy using two cw-quantum cascade lasers.
(Graduate School of Science,Tokyo Institute of Technology)*Hiroyuki Kawasaki,Asao Mizoguchi,Hideto Kanamori

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Venue B

[Surface/Interface]

9:00-9:18 4B01 Depth-resolved XMCD spectroscopy of single-layer graphene / Ni thin film
(ASRC JAEA)*Yoshihiro Matsumoto,Shiro Entani,Manabu Ohtomo,Pavel V. Avramov,Hiroshi Naramoto,Seiji Sakai
9:18-9:36 4B02 Development of low-energy inverse photoemission spectroscopy and application to organic semiconductors
(Kyoto Univ.)*Hiroyuki Yoshida
9:36-9:54 4B03 X-ray absorption study on the electronic structure of nitrogen in nitrogen doped graphite
(Graduate School of Engineering, Tokyo Univ.1,Faculty of Pure and Applied Sciences, Tsukuba Univ.2,The Institute for Solid State Physics, Tokyo Univ.3,Synchrotron Radiation Research Organization, Tokyo Univ.4)*Hisao Kiuchi1,Takahiro Kondo2,Masataka Sakurai2,Junji Nakamura2,Hideharu Niwa3,Jun Miyawaki3, 4,Yoshihisa Harada3, 4,Masaharu Oshima1, 4
9:54-10:12 4B04 Excited electronic state dynamics of oligothiophene self-assembled monolayer
(Graduate School of Science, Osaka Univ.)*Yoshinari Murakami,Yoshiaki Kiriyama,Riyo Saitoh,Takahilo Ueba,Takashi Yamada,Hiroyuki S. Kato,Toshiaki Munakata
10:30-10:48 4B06 Probing of a surface excited state at ferrocene adsorbed on a film of organic molecular insulator
(ERATO, JST1,Keio University2)*Masahiro Shibuta1, 2,Naoyuki Hirata1, 2,Toyoaki Eguchi1, 2,Atsushi Nakajima1, 2
10:48-11:06 4B07 Theoretical study on the mechanism of Interfacial Charge-Transfer between organic and inorganic material
(Graduate School of Engineering, The University of Tokyo1,JST CREST2,Research Center for Advanced Science and Technology, The University of Tokyo3,JST PRESTO4)*Ryota Jono1, 2,Junichi Fujisawa3, 4,Hiroshi Segawa3,Koichi Yamashita1, 2
11:06-11:24 4B08 The valence electronic structure of potassium-doped dibenzopentacene thin film
(Graduate School of Arts and Sciences, The University of Tokyo)*Hirofumi Sato,Shimon Mihara,Masaru Aoki,Shigeru Masuda
11:24-11:42 4B09 Doubly-resonant sum-frequency generation spectroscopy of PCBM:P3HT thin films
(AIST)*Takayuki Miyamae,Yukihiro Shimoi
11:42-12:00 4B10 Site-specific intermolecular interaction in organic crystals revealed by precise band-dispersion measurement
(IMS)*Hiroyuki Yamane,Nobuhiro Kosugi

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Venue C

[Solid phase]

9:00-9:18 4C01 Diverse molecular-assemblies of dialkoxylated dicyanopyrazinoquinoxalines
(IMRAM, Tohoku Univ.)*Takashi Takeda,Norihisa Hoshino,Tomoyuki Akutagawa
9:18-9:36 4C02 In-plane molecular rotator and dielectric responses of mesitylene derivatives
(Graduate School of Eng.,Tohoku Univ.1,IMRAM.,Tohoku Univ.2)*Junichi Ichikawa1,Norihisa Hoshino1, 2,Takashi Takeda1, 2,Tomoyuki Akutagawa1, 2
9:36-9:54 4C03 Molecular-assembly nanostructures and dielectric properties of diverse alkylamide-substituted benzene derivatives
(Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2)*Yuta Shishido1,Norihisa Hoshino1, 2,Takashi Takeda1, 2,Tomoyuki Akutagawa1, 2
9:54-10:12 4C04 Crystal structure and physical properties of (naphthalene-1-aminium)(dibenzo[18]crown-6][(Ni(dmit)2]
(Graduate School of Environmental Science Hokkaido University1,Institute of Multidisciplinary Research for Advanced Materials Tohoku University2,Research Institute for Electronic Science, Hokkaido University3)*Yin-Nan Yan1,Tomoyuki Akutagawa2,Kazuya Kubo1, 3,Shin-ichiro Noro1, 3,Takayoshi Nakamura1, 3
10:12-10:30 4C05 Design of organic ferroelectrics based on molecular motions in charge transfer crystals
(Faculty of Science, Hokkaido University1,Graduate School of Chemical Sciences and Engineering, Hokkaido University2,Faculty of Science, Hokkaido Univerisity3)*Jun Harada1, 2, 3,Shunsuke Ashidate2,Shota Sato2,Masaki Ohtani3,Yukihiro Takahashi1, 2, 3,Tamotsu Inabe1, 2, 3
10:48-11:24 4C07 [Invited Talk]Electronics-application and superconductivity of organic hydrocarbons
(Graduate School of Natural Science and Technology, Okayama University)*Yoshihiro Kubozono,Ritsuko Eguchi,Hidenori Goto,Takashi Kambe
11:24-11:42 4C09 Trial of controlling electronic structure of TCNQ salts with using different size of counter cations
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Graduate School of Science, Hokkaido Univ.2,JST-CREST3)*Hiroyuki Kubota1, 3,Yukihiro Takahashi1, 2, 3,Hiroyuki Hasegawa2, 3,Jun Harada1, 2, 3,Tamotsu Inabe1, 2, 3
11:42-12:00 4C10 Molecular dynamics and structural phase transition in mixed-stacked charge transfer complex
(Graduate School of chemical Sciences and engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,JST-CREST3)*Seiya Yokokura1,Yukihirio Takahashi2, 3,Hiroyuki Hasegawa2, 3,Jun Harada2, 3,Tamotsu Inabe2, 3

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Venue D

[Biomolecules]

9:00-9:18 4D01 Investigation of the molecular mechanism of Channelrhodopsin by light-induced difference FTIR spectroscopy
(Inst. Mol. Sci.1,PRESTO2,CREST3,Grad. Sch. Life Sci.4)*Asumi Inaguma1, 2,Hisao Tsukamoto1,Tetsunari Kimura1, 3,Toru Ishizuka3, 4,Hiromu Yawo3, 4,Yuji Furutani1, 2
9:18-9:36 4D02 Ion transport function and photochemical reaction of blue-absorbing archearhodopsin 3
(Graduate School of Engineering, Natoya Inst. of Tech.1,JST PRESTO2,Graduate School of Science, Nagoya Univ.3,Graduate School of Pharmaceutical Sciences, Toho Univ.4,Graduate School of Science, Kyoto Univ.5,JST CREST6,Inst. Mol. Sci.7)*Keiichi Inoue1, 2,Jin Yagasaki3,Kazumi Shimono4,Seiji Miyauchi4,Shigehiko Hayashi5,Hideki Kandori1,Yuki Sudo3, 6, 7
9:36-9:54 4D03 Atr-ftir study for chloride binding mechanism of monkey green-sensitive visual pigment
(Department of Frontier Materials, Nagoya Institute of Technology1,Department of Life and Coordination-Complex Molecular Science, Institute for Molecular Science2,Primate Research Institute, Kyoto University3)*Kota Katayama1,Yuji Furutani1, 2,Hiroo Imai3,Masayo Iwaki1,Hideki Kandori1
9:54-10:12 4D04 Theoretical study for excited states of firefly-bioluminescence-related molecules
(The Institute for Solid State Physics, The University of Tokyo1,Graduate School of Information Science, Nagoya Univ.2)*Miyabi Hiyama1,Hidefumi Akiyama1,Nobuaki Koga2
10:30-10:48 4D06 Theoretical study on multiple oxygen entry pathways in T-state human hemoglobin
(Venture Business Laboratory, Nagoya Univ.1,Graduate School of Information Science, Nagoya Univ.2,JST-CREST3,ESICB, Kyoto Univ.4)*Masayoshi Takayanagi1, 2, 3,Ikuo Kurisaki2, 3,Shogo Hirao2,Masataka Nagaoka2, 3, 4
10:48-11:06 4D07 Structure prediction of glycans by NMR chemical shift calculation
(RIKEN)*Suyong Re,Wataru Nishima,Yoshiki Yamaguchi,Yuji Sugita
11:06-11:24 4D08 Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II
(Inst Mol Sci)*Yuki Kurashige,Takeshi Yanai
11:24-11:42 4D09 Toward understanding of molecular mechanism of excited energy transfer in light-harvesting antennas
(Faculty of Science, Univ. of the Ryukyus1,Department of Biochemistry, Univ. of Washington2,Graduate School of Science, Kyoto Univ.3,IMS4)*Masahiro Higashi1,Takahiro Kosugi2,Shigehiko Hayashi3,Shinji Saito4
11:42-12:00 4D10 [Invited Talk]Large-scale all-atom molecular dynamics calculation of viruses using the K-computer: Negative pressure at the inside of poliovirus capsid
(Graduate School of Engineering, Nagoya Univ.1,Graduate School of Engineering, Nagoya Univ.2,Faculty of Pharmaceutical Sciences, Ritsumeikan Univ.3,Institute for Protein Research, Osaka Univ.4,Institure of Mictrovial Chemistry5)*Yoshimichi Andoh1,Noriyuki Yoshii2,Atsushi Yamada1,Kazushi Fujimoto3,Hidekazu Kojima1,Keisuke Mizutani1,Susumu Okazaki1,Atsushi Nakagawa4,Akio Nomoto5

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Venue E

[Theory/Calculation]

9:00-9:18 4E01 Acceleration of divide-and-conquer calculation on GPU
(Department of Chemistry and biochemistry School of Advanced Science and Engineering. Waseda University1,Waseda Institute for advanced study. Waseda University2,CREST, Japan Science and Technology Agency3,ESICB, Kyoto University4)*Takeshi Yoshikawa1,Hiromi Nakai1, 2, 3, 4
9:18-9:36 4E02 Large-scale and highly accurate relativistic quantum-chemical theory (4): Development of frozen core potential method
(Graduate School of Advanced Science and Engineering, Waseda Univ.1,Faculty of Science and Engineering, Waseda Univ.2,JST-CREST3,ESICB, Kyoto Univ.4)*Junji Seino1,Moto Tarumi1,Hiromi Nakai1, 2, 3, 4
9:36-9:54 4E03 An ab initio study of nuclear volume effects using 2-compornent relativistic method for isotope fractionation reaction
(Graduate School of Science, Tokyo Metropolitan Univ.1,School of Advanced Science and Engineering, Waseda Univ.2,JST-CREST3)*Keisuke Nemoto1, 3,Minori Abe1, 3,Junji Seino2, 3,Masahiko Hada1, 3
9:54-10:12 4E04 Accuracy of the two-component methods in the relativistic molecular orbital theory
(Graduate School of Science, Kyushu Univ.)*Nobuki Inoue,Satoshi Suzuki,Yoshihiro Watanabe,Haruyuki Nakano
10:12-10:30 4E05 Chemical reaction path analysis based on orbital energies
(FCNC, Univ. Yamanashi)*Takao Tsuneda
10:30-10:48 4E06 From atom to molecule method (FATM) combined with the increasing exchange (iExg) theory: Schrödinger solutions of organic compounds
(Quantum Chemistry Research Institute1,JST-CREST2)*Hiroshi Nakatsuji1, 2,Hiroyuki Nakashima1, 2
10:48-11:06 4E07 Solving the Schrödinger equation with the FATM-iExg method: Application to hydrocarbons
(Quantum Chemistry Research Institute)*Hiroyuki Nakashima,Hiroshi Nakatsuji
11:06-11:24 4E08 Accurate and highly efficient approximations to the two-electron spin-orbit coupling terms
(Institute for Molecular Science)*Jakub Chalupsky,Takeshi Yanai
11:24-12:00 4E09 [Young Scientist Award Talk]Theoretical studies on chemical reactions with structural fluctuation
(Graduate School of Engineering Science, Osaka Univ.)*Yasuteru Shigeta

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Friday Afternoon Sessions(September 27, starting at 15:00)

Venue A

[Clusters/Particles/Nanostructures]

15:00-15:18 4A11 Reaction of cobalt cluster anions towards nitrogen molecules
(School of Science, the University of Tokyo)*Kiichirou Koyasu,Akimaro Yanagimachi,Tatsuya Tsukuda
15:18-15:36 4A12 Gas-phase generation of zirconia clusters and their reaction with a NO and CO gas mixture
(Graduate School of Arts and Sciences, Univ. Tokyo)*Ken Miyajima,Fumitaka Mafune
15:36-15:54 4A13 Gas phase synthesis of Ceria-attached Rhodium clusters
(Graduate School of Arts and Sciences, The Univ. Tokyo)*Daisuke Shigeta,Ken Miyajima,Fumitaka Mafune
15:54-16:12 4A14 Stability and reactivity of Au attached ceria clusters in the gas phase
(The University of Tokyo)*Toshiaki Nagata,Saki Kudo,Ken Miyajima,Fumitaka Mafune
16:30-16:48 4A16 X-ray absorption measurement of cerium oxide clusters in an ion trap
(Genesis Research Institute, Inc.1,Kyushu University2)*Tetsuichiro Hayakawa1,Kazuhiro Egashira1,Masashi Arakawa2,Tomonori Ito2,Shun Sarugaku2,Kota Ando2,Akira Terasaki2
16:48-17:06 4A17 Spectroscopic properties of fullerene nanoaprticle colloids prepared by laser ablation in water
(Graduate School of Science and Engineering, Ehime Univ.)*Tsuyoshi Asahi,Miya Arinishi,Yukihide Ishibashi
17:06-17:24 4A18 Synthesis of novel carbon clusters in liquid phase by irradiation of intense femtosecond laser pulses (III)
(Dept. of chem., TMU)*Takeshi Kodama,Tatsuya Fujino,Haruo Shiromaru,Yohji Achiba
17:24-17:42 4A19 Delayed detachment of carbon cluster anions (n=4,5,6)
(Dept. Chem., Tokyo Metropolitan Univ.1,Dept. Phys., Tokyo Metropolitan Univ.2,Dept. Phys., Gothenburg Univ.3,Atomic and Molecular Physics, RIKEN4,Academia Sinica5)Motoshi Goto4,Gen Ito2,Takeshi Furukawa2,Erika Sunden3,Jun Matsumoto1,Hajime Tanuma2,Klavs Hansen3,Toshiyuki Azuma4,*Haruo Shiromaru1,Kaito Takahashi5

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Venue B

[Surface/Interface]

15:00-15:18 4B11 Change of PEDOT-PSS electronic structure occured by the annealing
(Graduate school of Advanced Integration Science, Chiba University.)*Hiroki Shinotsuka,Satoshi Kera,Nobuo Ueno
15:18-15:36 4B12 Band dispersion measurement of organic single crystal by angle-resolved time of flight spectroscopy
(Graduate School of Advanced Integration Science, Chiba Univ.1,FUNSOM, Soochow Univ.2,Department of Physics and Astronomy, Uppsala Univ.3)*Kazushi Sato1,Steffen Duhm2,Nils Martensson3,Svante Svensson3,Nobuo Ueno1,Satoshi Kera1
15:36-15:54 4B13 Clarification of pseudometallization of pai-conjugated organic molecules adsorbed on metal surface
(Faculty of Engineering, Iwate Univ.1,Graduated School of Advanced Integration Science, Chiba Univ.2)*Takuya Hosokai1,Keiichiro Yonezawa2,Kengo Kato2,Rintaro Makino2,Yang J.2,Koswattage K.R.2,Nobuo Ueno2,Satoshi Kera2
16:12-16:30 4B15 Photo-gated Superconducting Transistor utilizing κ-(BEDT-TTF)2[N(CN)2]Br
(Institute for Molecular Science1,RIKEN2)*Masayuki Suda1, 2,Reizo Kato2,Hiroshi Yamamoto1, 2
16:30-16:48 4B16 Conductance of cytochrome c3 molecule probed by conductive AFM
(Osaka Univ.1,Fukui Univ.2,Univ. of Hyogo3)*Saki Sumida1,Harumasa Yamaguchi1,Dock-Chil Che1,Yoshiaki Hirano2,Masayuki Suzuki3,Yoshiki Higuchi3,Takuya Matsumoto1
16:48-17:06 4B17 Charge transport through self-assembled pi-stacked molecules
(Depart. of Chem., Tokyo Inst. of Tech.1,Depart. of Appl. Chem., The Univ. of Tokyo2)*Shintaro Fujii1,Sougin Kin1,Manabu Kiguchi1,Takashi Murase2,Makoto Fujita2
17:06-17:24 4B18 Molecular study on adhesion between carbon fiber and epoxy resin
(IMCE, Kyushu Univ.)*Takayuki Semoto,Yuta Tsuji,Hiromasa Tanaka,Kazunari Yoshizawa

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Venue C

[Solid phase]

15:00-15:18 4C11 Control of photochromism in dual photoisomerization
(Graduate School of Science and Engineering, Tokyo Insitute of Tech.)*Akiko Sekine,Sayaka Ina,Kohei Johmoto,Hidehiro Uekusa
15:18-15:36 4C12 Analysis of electric field induced infrared spectra of nylon 11 using density functional theory calculations and two-dimensional correlation method
(Graduate School of Advanced Science and Engineering, Waseda Univ.)*Hayato Isoda,Yukio Furukawa
15:36-15:54 4C13 Sub-ps transient microspectroscopic study on crystalline charge-transfer complex of pyromellitic dianhydride as a electron acceptor
(Graduate School of Science and Engineering, Ehime Univ.)*Yukihide Ishibashi,Osamu Udaka,Tsuyoshi Asahi
15:54-16:12 4C14 Picosecond structural change in organic crystals using time-resolved vibrational spectroscopy and electron diffraction
(Tokyo Tech.1,PRESTO-JST2,Kyoto Univ.3,RIKEN4,Univ. of Tronto5)*Ken Onda1, 2,Tadahiko Ishikawa1,Yoichi Okimoto1,Shin-ya Koshihara1,Hideki Yamochi3,Reizo Kato4,R. J. Dwayne Miller5
16:30-16:48 4C16 Study of Electronic States of Polymers on Surface by using Attenuated Total Reflection Spectroscopy in Far-UV region
(School of Science and Engineering, Kinki Univ1,KURABO2,School of Science and Technology, Kwansei Gakuin Univ3,Institute of Molecular Science4)*Yusuke Morisawa1,Shin Tachibana2,Erika Tanimura3,Masahiro Ehara4,Yukihiro Ozaki3
16:48-17:06 4C17 Theoretical study on diradical character and third-order nonlinear optical property for phenalenyl dimer
(Graduate School of Engineering Science, Osaka Univ.)*Kyohei Yoneda,Kotaro Fukuda,Hiroshi Matsui,Masayoshi Nakano
17:06-17:24 4C18 Time-resolved observation and control of ultrashort pulse laser-induced stress waves and structural changes inside a LiF single crystal
(Office of Society-Academia Collaboration for Innovation, Kyoto Univ.1,Graduate School of Engineering, Kyoto University2)*Masaaki Sakakura1,Yuki Ishiguro2,Naoaki Fukuda1,Yasuhiko Shimotsuma2,Kiyotaka Miura2
17:24-17:42 4C19 Spin dynamics of photoconductive donor-acceptor-type COF materials
(Center for Instrumental Analysis, Niigata Univ.1,Institute for Molecular Science2,Graduate Univ. for Advanced Studies3)*Ko Furukawa1,Seiya Takahashi2,Shangbin Jin3,Long Chen3,Donglin Jiang2, 3,Toshikazu Nakamura2, 3

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Venue E

[Theory/Calculation]

15:00-15:18 4E11 Highly accurate, numerical methods for atomic structure calculations in the Fock approximation
(no affiliation)*Hideaki Ishikawa
15:18-15:36 4E12 NTChem: a high-performance software package for molecular electronic structure calculation
(RIKEN AICS)*Takahito Nakajima
15:36-15:54 4E13 Asymptotic expansion for fast computation of two-electron integral
(Department of Chemistry, University of Illinois at Urbana-Champaign1,CREST2)*Tomonori Yamada1, 2,Ryan Brewster1,So Hirata1, 2
15:54-16:12 4E14 DMRG linear response theory and post-DMRG theory: Tamm-Dancoff approximation for the excited state problem in strongly correlated systems
(Princeton University1,Ghent University2)*Naoki Nakatani1,Sebastian Wouters2,Garnet Chan1
16:12-16:30 4E15 Model space quantum Monte Carlo method I: Basic ideas and pilot applications
(Graduate School of System Informatics, Kobe Univ.)*Seiichiro Ten-no
16:30-16:48 4E16 Model space quantum Monte Carlo method II Hybrid parallel implementation and some applications
(Graduate School of System Informatics, Kobe Univ.)*Yuhki Ohtsuka,Seiichiro Ten-no
16:48-17:06 4E17 Theoretical investigation of the binding of a positron to vibrational excited states of polyatomic molecules with quantum Monte Carlo method
(Yokohama City Univ.)*Yukiumi Kita,Masanori Tachikawa
17:06-17:24 4E18 Polymorph prediction of 1,4-diiodobenzene molecular crystal using quantum Monte Carlo methods
(School of Information Science, JAIST)*Kenta Hongo,Ryo Maezono
17:24-17:42 4E19 Electron Dynamics as Quantum Diffusion
(Toyohashi University of Technology)*Hideo Sekino,Shinji Hamada