# Searching for New Physics with Cold and Controlled Molecules

Europe/Berlin
02.430 (Mainz Institute for Theoretical Physics, Johannes Gutenberg University)

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Description
Recently a remarkable progress has been achieved in control over both internal (electronic, vibrational, spin and rotational) and external (translational) degrees of freedom for a wide range of molecules. In particular, direct laser and optoelectric cooling of polyatomic molecules has been successfully demonstrated. This opens a way for much higher precision in measuring tiny effects in molecular spectra connected with possible new physical forces, including exotic spin-dependent interactions, parity (P) and time-reversal invariance (T) violating interactions among others. In this connection, considerable interest would present, for example, identification of closed-shell and also chiral laser-coolable molecules/ions. On the other hand, consideration of P- and P,T-odd effects for classes of molecules that were already successfully cooled and trapped is of great interest. The workshop aims to bring together experimentalists and theorists working both on molecular control and cooling of molecules and ions and on the effects connected with new physical forces in these systems. The expected impact will likely include new proposals to search for the electron’s electric dipole moment, nuclear anapole and Schiff moments, search for axion-like dark matter and other experiments using precisely controlled molecules. The workshop will also offer an opportunity to review the new directions in molecular cooling and control, as well as achievements in laser and NMR techniques.
Contact @ MITP : Sibylle Wittek
• Monday, 26 November
• 09:30 10:00
Welcome: Dmitry Budker 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz

Introduction to workshop

Convener: Prof. Dmitry Budker (JGU)
• 10:10 10:50
Study of the electronic structure of atoms and molecules to extract the fundamental properties of nuclei and electron 40m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Dr Leonid Skripnikov (PNPI NRCKI, SPbSU)
• 10:50 11:10
Coffee 20m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 11:15 11:55
Chiral Molecules as Probes for Fundamental Physics 40m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Prof. Robert Berger (Philipps-Universität Marburg)
• 12:00 12:40
Concept of atoms-in-compounds: application to study electronic structure of molecules and solids containing f- and d-elements 40m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Capabilities of x-ray emission spectroscopy and other experimental methods in measuring properties of atoms-in-compounds as a way for non-destructive testing the physical-chemical state of heavy atoms are limited, first of all, by difficulties in interpretation of experimental data. Establishing a straight and unambiguous link between the measured characteristics and the effective states of an atom in a chemical compound [1-3] (material etc.) by modeling its electronic structure has obvious perspectives in applications. However, this connection is still not well exploited due to the extreme cost of modern schemes of the relativistic study of materials and other systems of practical interest. The numerical instability of theoretical estimates of the values of the chemical shifts etc., which are up to six orders of magnitude smaller than the energy of x-ray transitions, is the main problem. It is shown in [1-3] that rather economical calculation of the values of the chemical shifts of X-ray emission spectra for heavy-element compounds can be performed using the embedded cluster model developed in our lab [4]. In the talk our results of the embedded cluster calculations of characteristics of atoms-in-compounds on Th and U in xenotime, the Nb atom in the fersmite mineral (with basic formula CaNb2O6) with respect to the metallic Nb are presented and discussed. The calculations of the embedded cluster’s electronic structure for these structures are performed with using DFT and the generalized relativistic effective core potential method [5]. The values of the chemical shifts are obtained with using the methods developed in [1-5]. The results of optimization of Embedding potentials for ytterbium trifluoride relative difluoride ytterbium etc. are also presented and discussed. This work is supported by the Russian Science Foundation grant #14-31-00022. [1] Y. V. Lomachuk and A. V. Titov, Phys. Rev. A 88, 062511 (2013). [2] A. V. Titov, Y.V. Lomachuk, L.V. Skripnikov, Phys. Rev. A 90, 052522 (2014); [3] L.V. Skripnikov, A.V. Titov, Phys. Rev. A 91, 042504 (2015). [4] A.V. Zaitsevskii, L.V. Skripnikov, A.V. Titov, Mendeleev Comm., 26, 307 (2016). [5] A.V. Titov, N.S. Mosyagin, A.N. Petrov, D. DeMille, Progr. Theor. Chem. Phys., В 15, 253 (2006). [6] N.S. Mosyagin, A.V. Zaitsevskii, A.V. Titov, Int. Rev. At. Mol. Phys. 1, 63 (2010).
Speaker: Prof. Anatoly Titov (NRC "Kurchatov Institute" - PNPI)
• 12:40 14:00
Lunch break 1h 20m Mensa

#### Mensa

• 14:00 17:00
Talks and discussions on: Advances in electronic structure calculations 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz

Contributed talks

• 14:00
Finite-field coupled cluster method for molecular properties 30m
Speaker: Dr Anastasia Borschevsky (University of Groningen)
• 14:40
Role of Relativistic Many Body Theory in the Search for Electric Dipole Moment of the Electron in Cold Molecules 30m
The electric dipole moment (EDM) of the electron due to violations of T and P symmetries is a sensitive probe of new physics beyond the Standard Model of elementary particles. It could provide useful insights into the matter-antimatter asymmetry in the Universe. A number of experiments on paramagnetic molecules are currently under way to search for the electron EDM, and an upper limit for it is obtained by combining the results of these experiments with the calculations of the effective electric field on the electron. It was shown by Sandars over 50 years ago that the effective electric field is relativistic in origin. Indeed, it is necessary to use an accurate relativistic many-body theory to calculate this quantity. In my talk, I will emphasize the unique features of the relativistic coupled cluster (RCC) theory and apply it to calculate the effective electric fields on the electron in YbF, mercury halides, mercury alkalis and ytterbium hydroxide. The latter two cases demonstrate the power of the RCC theory in aiding the search for suitable molecules for electron EDM experiments.
Speaker: Prof. Das Bhanu (Tokyo Institute of Technology)
• 15:20
Coffee 20m
• 15:50
Breaching $|d_e| \approx 10^{-32}\, e$ cm with Ultracold Molecules ? 30m
Speaker: Prof. Timo Fleig (Universite Paul Sabatier Toulouse III)
• 17:00 18:00
Free discussion 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 18:00 19:00
Dinner 1h Christmas Markt

#### Christmas Markt

Restoran

• Tuesday, 27 November
• 10:00 10:40
Theoretical study of ThO and HfF+ for eEDM search experiments 40m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Dr Alexander Petrov (Petersburg Nuclear Physics Institute)
• 10:40 11:00
Coffee 20m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 11:00 11:40
Cooling polyatomic molecules for precision experiments 40m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Dr Martin Zeppenfeld (MPI für Quantenoptik)
• 11:45 12:25
Unconventional chemistry of polyatomic molecules with optical cycling transitions 40m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Prof. Svetlana Kotochigova (Temple University)
• 12:30 14:00
LUNCH 1h 30m Mensa

#### Mensa

• 14:00 15:50
Discussions and talks on: Direct cooling of molecules 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 14:00
A molecular fountain 30m
Speaker: Prof. Hendrick Bethlem (Vrije Unversiteit Amsterdam)
• 14:30
Coffee 20m
• 14:50
Experiments with ultracold monofluoride molecules 30m
Speaker: Dr Noah Fitch
• 15:20
Measuring the electron-EDM using a slow and cold beam of BaF molecules 30m
Speaker: Prof. Steven Hoekstra (University of Groningen)
• 16:00 17:00
Physics colloqium 1h Instituts für Kernphysik

#### Instituts für Kernphysik

Johann-Joachim-Becher-Weg 45
• 17:00 18:00
Free discussion 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 18:00 19:00
DINNER 1h 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• Wednesday, 28 November
• 10:00 11:00
High-precision spectroscopy of "hot" atoms and molecules 1h 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Dr Ronald Fernando Garcia Ruiz (CERN)
• 11:00 11:20
Coffee 20m 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 11:20 12:20
Free discussion 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 12:20 14:00
LUNCH 1h 40m 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 14:00 16:10
Discussions and talks on: Dark matter and EDM in atomic/molecular experiments 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 14:00
Testing the parity symmetry in cold chiral molecules using vibrational spectroscopy 30m
Speaker: Dr Benoît Darquié (CNRS-Université Paris 13)
• 14:40
Rotational Spectroscopy and Internal State Control of Cold Molecules 30m
Speaker: Dr Sandra Eibenberger (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
• 15:15
Coffee 20m
• 15:40
Material Size Dependence on Fundamental Constants 30m
Speaker: Dr Lukas Pasteka (Comenius University)
• 16:10 18:00
Free discussion 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 18:00 19:00
DINNER 1h 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• Thursday, 29 November
• 10:00 10:30
Parity nonconserving corrections to the spin-spin coupling in molecules 30m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Prof. Mikhail Kozlov (Petersburg Nuclear Physics Institute)
• 10:35 11:05
P,T-odd Faraday effect in neutral atoms 30m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Dmitry Chubukov (SPbSU Physical Dept.)
• 11:05 11:25
Coffee 20m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 11:25 12:05
Dirac-Fock-Sturm method for calculations of heavy atoms and quasi-molecules 40m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speaker: Prof. Ilya Tupitsyn (St. Petersburg State University)
• 12:05 14:00
LUNCH 1h 55m Mensa

#### Mensa

• 14:00 16:00
Joined colloquium with QUANTUM 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 16:00 16:50
Discussions and talks on: NMR in search for SDPV and dark matter 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 16:00
Searches for axionlike dark matter with ultralow-field nuclear magnetic resonance 30m
Speaker: Dr Teng Wu (Helmholtz Institute Mainz)
• 16:30
Coffee 20m
• 16:50 18:00
Free discussion 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 18:00 19:00
Dinner 1h 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• Friday, 30 November
• 10:40 11:00
Coffee 20m 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 11:00 12:00
Poster Session and Lab Excursion 02.430

### 02.430

#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 12:00 13:00
Lunch 1h 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 13:00 14:30
Discussions and talks on: Featured talks 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
• 13:00
Search of P, T-parity nonconservation at triatomic molecules 20m
Speaker: Daniel Maison (PNPI NRCKI, SPbSU)
• 13:30
Calculation of Bohr-Weisskopf correction for thallium 20m
Speaker: Sergey Prosnyak (NRC)
• 14:00
Singlet-triplet coherences in nuclear magnetic resonance 20m
Speaker: Kirill Sheberstov
• 14:30 15:00
Conclusion 30m 02.430

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#### Mainz Institute for Theoretical Physics, Johannes Gutenberg University

Staudingerweg 9 / 2nd floor, 55128 Mainz
Speakers: Dr Mikhail Kozlov (PNPI NRCKI), Dr TIMUR ISAEV (PNPI NRCKI)