Theory of nonadiabatic processes
March 12 to 15, 2018 Jerusalem, Israel
Non-adiabatic effects are ubiquitous in many photochemical, photobiological and electron induced dynamics. They enable efficient transfer of electronic excitation energy to nuclear kinetic energy and vice versa, often causing irreversible transfer of potential energy to heat, or form a unique mechansim for reactions which are forbidden in the adiabatic framework. Despite of continuing progress over the years, a detailed understanding of nonadiabatic processes is still limited due to lack of a generally applicable methodlogy with which they can be described quantitively. The aim of this conference is to bring together scientists working on different aspects of non-adiabatic processes, such as light-induced events, electron transfer reactions, etc. The focus is on development of new theoretical and computational approaches that enable an accurate and reliable description of these processes.
Over 40 invited lectures by world reknown experts in the field will be given between the 12th and 15th of March 2018 at the Israel Institute of Advanced Studies on the Edmond J. Safra Campus of the Hebrew University of Jerusalem in Israel. In addition, a poster session for presenting contributed material.
Canada |
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France |
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Germany |
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Germany/Israel |
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Hungary |
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India |
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Israel |
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Israel / East Jerusalem |
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Italy |
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Japan |
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Sweden |
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United Kingdom |
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USA - California |
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USA - Colorado |
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USA - Illinois |
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USA - Maryland |
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USA - Massachusetts |
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USA - Michigan |
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USA - New Mexico |
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USA - New York |
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USA - North Carolina |
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USA - Pennsylvania |
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USA - Texas |
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Download a PDF of the Talk Abstracts
Download a PDF of the Poster Abstracts
Monday, March 12th
08:50 |
Welcome Roi Baer, Fritz Haber Center, The Hebrew University of Jerusalem, Israel |
I | Chair: Robert Englman, Ariel University |
09:00 |
The H3++ Molecular System as a Cornerstone for Building Molecules During the Big Bang, Michael Baer, Soreq Nuclear Center and Fritz Haber Center, The Hebrew University of Jerusalem, Israel |
09:30 |
Quantum Nonadiabatic Dynamics in the Moving Crude Adiabatc Representation, Artur Izmaylov, University of Toronto, Canada |
10:00 |
Jahn-Teller effect among electronic resonant states of H3, Asa Larson, University of Stockholm, Sweden |
10:30 | Coffee |
11:00 |
Nuclear velocity perturbation theory within the exact factorization: A new way of treating non-adiabatic effects, Eberhard K. U. Gross, Max Planck Institute for Microstructure Physics, Halle, Germany, and Fritz Haber Center, The Hebrew University of Jerusalem, Israel |
11:30 |
Geometric Phase Effects in Nonadiabatic Tunneling, Hua Guo, University of New Mexico, USA |
12:00 |
Rigorous Trajectory-Based Methods for Simulating Nonadiabatic Dynamics, Craig Martens, University of California Irvine, USA |
12:30 | Lunch in the Belgium House |
II | Chair: Dorit Shemesh, Fritz Haber Center, The Hebrew University of Jerusalem, Israel |
15:00 |
New electronic structure tools for modeling non-adiabatic processes, Anna Krylov, University of Southern California, USA |
15:30 |
Excited state dynamics in Proteorhodopsin, Igor Schapiro, Fritz Haber Center, The Hebrew University of Jerusalem, Israel |
16:00 |
CASPT2 non-adiabatic dynamics, Toru Shiozaki, Northwestern University, Illinois, USA |
16:30 | Coffee |
17:00 |
Time evolution of the Landau-Zener problem under weak measurement, Abraham Nitzan, University of Pennsylvania, USA and Tel Aviv University, Israel |
17:30 |
Non-Equilibrium Thermodynamics in Open Quantum Systems via The Driven Liouville von Neumann (DLvN) Approach, Oded Hod, Tel Aviv University, Israel |
18:00 | Reception and Poster Session |
Tuesday, March 13th
III | Chair: Daniel Strasser, Hebrew University of Jerusalem, Israel | |
09:00 |
Describing Potential Energy Surfaces around Conical Intersections via Symmetry Breaking and Restoration Techniques, Gustavo Scuseria, Rice University, Texas, USA |
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09:30 |
Derivative Couplings, Line Integrals, Fit Coupled Potential Energy Surfaces and the Molecular Aharanov Bohm Effect Revisited, David Yarkony, Johns Hopkins University, Maryland, USA |
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10:00 |
Towards quantum simulations for electronic dynamics for small molecules with Multi-Configuration Time-Dependent Hartree (MCTDH), Fabien Gatti, University Paris Sud, France |
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10:30 |
Non-adiabatic coupling in the ozone molecule, Alexander Alijah, University of Reims, France |
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11:00 | Coffee | |
IV | Chair: Igor Rahinov, The Open University, Israel | |
11:30 |
Nested Funnels and Nonadiabatic Dynamics in Photosynthesis, David Jonas, University of Colorado Boulder, USA |
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12:00 |
Understanding and engineering the vibrational coherence of vision, Massimo Olivucci, Universita di Siena, Italy |
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12:30 |
Nonadiabatic Energy Transfer, Troy van Voorhis, Massachusettes Institute of Technology, Massachusettes, USA |
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13:00 |
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13:30 | Lunchboxes + Tour of old city | |
19:00 | Festive Dinner at "Modern", the Israel Museum of Art | |
Musical Interlude
On the occasion of Michael Baer's 80'th Birthday: |
Wednesday, March 14th
V | Chair: Ester Livshits, Fritz Haber Center, The Hebrew University of Jerusalem, Israel |
09:00 |
Classical Molecular Dynamics Simulations of Electronically Non-Adiabatic Processes, William Miller, University of Cailfornia, Berkeley, California, USA |
09:30 |
Excited state dynamics with trajectories, Federica Agostini, University Paris- Sud, France |
10:00 |
Full Quantum Direct Dynamics Simulations of Non-adiabatic Photochemistry, Graham Worth, University College London, UK |
10:30 | Coffee |
11:00 |
Isotope effect in a non adiabatic transition and longer time vibronic coherence, Raphael D. Levine, Fritz Haber Center, The Hebrew University of Jerusalem, Israel |
11:30 |
Light-induced conical intersections, Ágnes Vibók, University of Debrecen, Hungary |
12:00 |
A New Look at Normal and Anomalous Diffusion, Donald J. Kouri, University of Houston, Texas, USA |
12:30 | Lunch in the Belgium House |
VI | Chair: Narayanasami Sathyamurthy, Indian Institute of Science Education and Research, Mohali, India |
14:30 |
Time-Dependent Nonadiabatic Markovian Quantum Master Equation, Ronnie Kosloff, Fritz Haber Center, The Hebrew University of Jerusalem, Israel |
15:00 |
Non Adiabatic Phenomena in Open Systems, Nimrod Moiseyev, Technion - Israel Institute of Technology, Israel |
15:30 |
Nonadiabatic Dynamics via The Generalized Quantum Master Equation, Eitan Geva, University of Michigan at Ann Arbor, Israel |
16:00 | Coffee |
16:30 |
Does electronic non-adiabaticity influence rates of surface reactions? Alec Wodtke, Max Planck Institute Göttingen, Germany |
17:00 |
Cooling and Mechanical Stabilization of Molecular Resonant Tunneling Devices, Uri Peskin, Technion - Israel Institute of Technology, Israel |
17:30 |
Mean Field vs Stochastic Approaches to Nonadiabatic Dynamics, Joe Subotnik, University of Pennsylvania, USA |
Thursday, March 15th
VII | Chair: Igor Schapiro, Fritz Haber Center, The Hebrew University of Jerusalem | |
09:00 |
Electronic Excited States from Pairing Matrix Fluctuations and Particle-Particle Random Phase Approximation, Weitao Yang, Duke University, North Carolina, USA |
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09:30 |
Stochastic GW for thousands of electrons and more, Daniel Neuhauser, University of California at Los Angeles, California, USA |
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10:00 |
Beyond Born-Oppenheimer Theories on Molecular Processes and Phase Transitions in Solid States, Satrajit Adhikari, Indian Association for the Cultivation of Science, Calcutta, India |
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10:30 | Coffee | |
11:00 |
Ultrafast nonadiabatic dynamics in photovoltaic polymer materials: Coherence, delocalization, and disorder, Irene Burghardt, Goethe University, Frankfurt, Germany |
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11:30 |
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12:00 |
Nonadiabatic Dynamics Simulations of Organic Materials with Optical Activity, Mario Barbatti, Aix-Marseille Université, France |
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12:30 | Lunch in the Belgium House | |
VIII | Chair: Francoise Remacle, Department of Chemistry, University of Liège, Liège Belgium | |
14:30 |
Recent advances in nonadiabatic dynamics and applications to nanoscale materials, Oleg Prezhdo, University of Southern California, California, USA |
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15:00 |
Probing chromophores for singlet fission by surface hopping simulations, Maurizio Persico, Università di Pisa, Italy |
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15:30 |
Quantum Transitions with Classical Trajectories: A Simple and Rigorous Derivation, David Tannor, Weizmann Institute of Science, Israel |
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16:00 | Coffee | |
16:30 |
Electron and Nuclear Dynamics Driven by a Coherent Superposition of Electronic Wavefunctions (Implications for Attosecond Spectroscopy), Michael Robb, Imperial College London, UK |
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17:00 |
Time-Domain Quantum Chemistry, Kazuo Takatsuka, The University of Tokyo, Japan |
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17:30 |
Tunneling flight time in nonadiabatic transitions., Eli Pollak, Weizmann Institute of Science, Israel |
lectures-program.pdf | 2.44 MB | |
lectures.pdf | 1.09 MB | |
posters.pdf | 1.77 MB | |
jerusalem_nonadiabatica_2018-program.pdf | 483 KB |
January 8, 2018 | Original deadline for Abstract Submission |
January 31, 2018 | Extended deadline for Abstract Submission |
February 15, 2018 | Deadline for Early Registration Fees & Hotel Reservation |
March 12 – 15, 2018 | Conference sessions |
Registration fees include:
Participation in sessions; coffee breaks and 4 lunches, get together, festive dinner.
Until February 15, 2018 | From February 16, 2018 | |
Invited Speaker | waived | waived |
Participant | US$ 300 | US$ 350 |
Student (*) | US$ 200 | US$ 250 |
(*) The student fee applies to full-time M.Sc and Ph.D students. Please send copy of valid student ID or official letter from Head of Department confirming full-time student status.
Bank Name: FIBI - The First International Bank of Israel
Account #: 293342 Comments:
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Commitment – Payment by employer (Israeli participants only)
Important: Hotel reservations and other services will only be confirmed for registered participants if full payment has been received as listed above.
Notification of cancellation should be sent in writing only to the Meeting Secretariat:
Diesenhaus-Unitours – Convention Department
E-mail: magalim@diesenhaus.com or Fax: +972-3-5610152
Refund of registration fees will be made as follows:
Diesenhaus-Unitours Incoming Tourism Ltd., is the official travel agent for Nonadiabatica 2018 and will provide tourist services for participants, such as: hotel accommodations, optional tours, transfers from/to the airport, car rental, etc.
Diesenhaus-Unitours has secured a block of rooms in Jerusalem, making it possible to offer reduced rates to meeting participants. In order to benefit from these rates, reservations, payments and notification of changes must be made with Diesenhaus-Unitours and not directly with the hotels.
Please note:
Jerusalem Hotels | Single Room | Double Room (2 persons) | Per Person in Double Room |
Distance from Meeting Venue |
Ibis Jerusalem City Center* | 140 | 160 | 80 |
Transportation provided |
Royal Hotel | 140 | 146 | 73 | 10-15 Minute walking Distance |
The Belgium House** | 109 | 138 | 69 | 5-10 Minute walking Distance |
* Recomended for invited speakers and participants.
** For invited speakers only (limited no. of rooms)
Important notes:
Bank Name: FIBI - The First International Bank of Israel
Account #: 293342 Comments:
|
Commitment – Payment by employer (Israeli participants only)
Important: Hotel reservations and other services will only be confirmed for registered participants if full payment has been received as listed above.
Notification of cancellation should be sent in writing only to the Meeting Secretariat:
Diesenhaus-Unitours – Convention Department
E-mail: magalim@diesenhaus.com or Fax: +972-3-5610152
Refund of accommodation will be made as follows:
Ibis Jerusalem City Center 4 Elisar Street, Jerusalem |
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Ibis Jerusalem City Center, a new hotel in the heart of the city. Located on Zion Square, the hotel is just a minute away from the Ben Yehuda Pedestrian Mall, tram station and a few minutes’ walk to the Old City.
Room Size: 17 m² |
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Royal Wing Hotel |
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The Royal Hotel is located near the entrance to this cosmopolitan and historic city – a quick 35 minute ride from Ben-Gurion International Airport, and yet easily accessible from all sections of Jerusalem. Within walking distance to the Knesset (Israeli Parliament), Supreme Court, Hebrew University, Israel Museum, Bible lands Museum, Blumefield Science Museum, Jerusalem’s Central Bus Station and the Binyanei Hauma Convention Center, as well as just a short ride away from the unparalleled wonders of the Old City and the unforgettable Holocaust Memorial of Yad Vashem. Room Facilities: conditioning, Cable channels, Refrigerator, Free Wi-Fi, Safe, Coffee & Tea facilities. |
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Belgium House |
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Belgium House, the Faculty Club and Guest House of the Hebrew University in Jerusalem, is situated close to the National and University Library, within walking distance from the main entrance to the University Campus. The Israel Museum, Bible Lands Museum and the Botanical Gardens are in the vicinity, as well as the Knesset, the Israeli Parliament. It is near to the entrance to the city and easily accessible from it. Room Facilities: air conditioning, en suite bathrooms, T.V., Free Wi-Fi |
The official language of Nonadiabatica 2018 is English.
The weather in Jerusalem in March is warm during the day and cold at night occasional rain. Temperatures range 16°C- 8°C (61°F - 46°F). Casual dress is appropriate for all occasions. Comfortable walking shoes, sunglasses, hats, suntan lotion and swimsuits are recommended for tours and outdoors activities.
Citizens of EU countries and the USA do not need entry visas to Israel. For participants from other countries we suggest you check the website of the Israeli Ministry of Foreign Affairs at
http://www.mfa.gov.il/NR/rdonlyres/F062828D-B5A6-42CE-BC04-90BEA48EA7DC/0/tavlat_ashrot.pdf or check with your local Israeli embassy, consulate or travel agent. Invitation letters will be issued upon request.
The Israeli power supply is single phase 220 volts at 50 Hertz. Most power sockets in Israel have three pin holes, but many of them will work with double-pin European plugs. Visitors who want to use shavers, traveling irons and other small appliances may need both transformers and adaptor plugs.
The currency unit in Israel is the New Israeli Shekel (NIS – “Shekel” in short).
International credit cards are accepted for payment in most hotels, restaurants and shops. Exchange offices and ATM machines are easily available throughout the city and at Ben-Gurion International Airport. We recommend that you change some money at the airport for immediate needs.
The Meeting Secretariat and Organizers cannot accept liability for personal accidents or loss of or damage to private property of participants and accompanying persons. Participants are advised to take out their own personal travel and health insurance for their trip.
Diesenhaus-Unitours Incoming Tourism (1998) Ltd.
Conventions Department
3 Hamelacha Street
P.O.Box 57176
Tel Aviv 61571
Israel
Tel: +972-(0)3-5651344; +972-(0)3-5651313
Fax: +972-(0)3-5610152
E-mail: magalim@diesenhaus.com
Ben-Gurion International Airport is Israel's main international Airport. The distance from the Airport to Jerusalem is 47 km / 29 miles.
Transportation options are as follows:
NESHER Tours operates a special shared taxi service from/to the Airport, drop off at your hotel in Jerusalem, and pick-up from hotels to the Airport. They are located outside the Airport terminal. Possible wait: 1 hour. This service operates 24 hours a day, 7 days a week. Transfer from your hotel in Jerusalem to the Airport needs to be reserved 2 days prior to departure. Please ask the reception desk at your hotel.
Price: US$ 22 per person.
This is a shared direct transfer service from the Airport to meeting hotels in Jerusalem. Possible wait - up to 1 hour. A Diesenhaus-Unitours representative will meet you upon arrival inside the Arrivals Hall, after you go through passport control. He will be holding a sign " Nonadiabatica".
Arrival transfers should be reserved on the conference Registration & Accommodation Form. Full arrival details must be provided in advance.
Price: US$ 40 per person.
Those who have reserved a departure transfer from the meeting hotels in Jerusalem, will receive pick-up details at the Diesenhaus-Unitours meeting hospitality desk.
Taxis are freely available outside the Airport terminal. Fares from/to Jerusalem are approx. US$ 65 per car. A 25% surcharge for night trips is in effect from 21:01 until 05:29 and from 14:00 on Fridays and on Saturdays.
Important note:
Public transportation (trains & busses) do not operate from Friday afternoon until Saturday evening.
Participants may enjoy a variety of optional tours and visit the most interesting sites in Israel.
Reservation of tours should be made on the On-line Registration & Accommodation Form.
Pick-up for tours – from your hotel lobby. Please allow approx. 20 minutes waiting time for collecting participants from several hotels.
For additional information on sightseeing tours please contact the meeting secretariat and travel agent: Diesenhaus-Unitours – Conventions Department
Jerusalem is a meeting place for East and West, new and old, beauty and ruins, sacred to the three major monotheistic religions - Judaism, Christianity and Islam - all adding to its uniqueness. On this tour you will visit the most significant sights of Jerusalem. Experience its religious sanctity, its historical sites, scents and colors.
Drive to the Mount of Olives for a panoramic view of the city. Enter the Old City and walk through the Jewish quarter to the excavated and restored Cardo (the Roman ancient road). See the Jewish Wailing Wall and continue to the Christian Quarter. Walk along the Via Dolorosa and visit the Church of the Holy Sepulchre. Proceed to the new city and visit Yad Vashem, the memorial to the holocaust. On Saturdays and Jewish holidays instead of Yad Vashem the tour will take you to visit the tomb of King David, the room of the Last Supper and the Dormition Abbey.
Note: modest dress (no shorts or sleeveless shirts) and head covering are required for visiting holy sites.
Departure: 09:00 to 09:40 from meeting hotel’s lobby in Jerusalem
Drop-off at end of tour: At your hotel in Jerusalem
Price: US$ 71 per person
Drive to the Dead Sea, the lowest point on earth. Visit the rock fortress of Masada built by King Herod the Great, King of Judea during the Roman period.
Ascend by cable car and tour this ancient fortress where the Zealots of the first century made their last stand against the Romans before committing mass suicide in 73AD.
Continue for a relaxing floating adventure on the Dead Sea. This extremely dense and saline sea, with great concentration of minerals is a world-renowned attraction for its therapeutic qualities.
Note: Comfortable walking shoes, hats, sun screen, bathing suit and towel are recommended.
Departure: 09:00 to 09:40 from meeting otel’s lobby in Jerusalem
Drop-off at end of tour: At your hotel in Jerusalem
Price US$ 105 per person
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Masada |
Dead Sea |
Drive to Nazareth, the town where Jesus spent his childhood. Visit the Church of the Annunciation and the Church of St. Joseph.
Continue via Cana to Tiberias, the lovely resort town. Drive along the Sea of Galilee to visit Capernaum and view the ruins of the ancient synagogue where Jesus taught.
Visit Tabgha, the site of the Miracle of Fish and Loaves. Continue to Yardenit Baptismal Site, where the Jordan River leaves the Sea of Galilee towards the Dead Sea.
Note: modest dress (no shorts or sleeveless shirts) and head covering are required for visiting holy sites
Departure: 06:00 from meeting hotel’s lobby in Jerusalem
Drop-off at end of tour: At your hotel in Tel-Aviv
Price: US$ 95 per person
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Nazareth |
Tiberias on the Sea of Galilee |
Drive along the coastal road to Caesarea, the ancient Roman capital and port, enjoy a walking tour of the ancient theatre, archaeological ruins and excavations.
Continue to Haifa, scenic view of city, port and Bahai Gardens. Continue via Nahariya to Rosh Hanikra to visit the limestone grottoes on the border with Lebanon.
Return via Acre to visit the Crusader and Turkish Underground City and crypt. Walk through the Old City and oriental market, the Arab Mosque and the Old Port.
Departure: 06:00 from meeting hotel’s lobby in Jerusalem.
Drop-off at end of tour: At your hotel in Jerusalem
Price: US$ 114 per person
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Acre |
Haifa – Bahai Gardens |
Scientific Organization: Igor Schapiro or Roi Baer
Registration & Tourist Services: Magali Mizrahi
Diesenhaus-Unitours Incoming Tourism (1998) Ltd.
Conventions Department
3 Hamelacha Street | P.O.Box 57176 | 61571 Tel-Aviv | Israel
Direct Tel: + 972-3-5651344
Fax: + 972-3-5610152
Email: Magalim@diesenhaus.com