scholarly journals Towards Ultracold Organic Chemistry: Prospects of Laser Cooling Large Organic Molecules

Author(s):  
Maxim Ivanov ◽  
Felix Bangerter ◽  
Paweł Wójcik ◽  
Anna I. Krylov

Ultracold organic chemistry enables studies of reaction dynamics and mechanisms in quantum regime. Access to ultracold molecules hinges on the ability to efficiently scatter<br>multiple photons via quasi-closed cycling transitions and, in practice, is complicated by the complex electronic structure of polyatomic molecules. Using equation-of-motion coupled-cluster (EOM-CC) calculations, we demonstrate that an alkaline earth metal attached to various aromatic ligands (such as benzene, phenol, cyclopentadienyl and pyrrolide) feature nearly-closed cycling transitions with only a few additional repump lasers. We also show that aromatic ligands such as benzene can accommodate multiple cycling centers in various geometrical configurations and may open new avenues in quantum information science, precision measurements, and ultracold chemistry.

2020 ◽  
Author(s):  
Maxim Ivanov ◽  
Felix Bangerter ◽  
Paweł Wójcik ◽  
Anna I. Krylov

Ultracold organic chemistry enables studies of reaction dynamics and mechanisms in quantum regime. Access to ultracold molecules hinges on the ability to efficiently scatter<br>multiple photons via quasi-closed cycling transitions and, in practice, is complicated by the complex electronic structure of polyatomic molecules. Using equation-of-motion coupled-cluster (EOM-CC) calculations, we demonstrate that an alkaline earth metal attached to various aromatic ligands (such as benzene, phenol, cyclopentadienyl and pyrrolide) feature nearly-closed cycling transitions with only a few additional repump lasers. We also show that aromatic ligands such as benzene can accommodate multiple cycling centers in various geometrical configurations and may open new avenues in quantum information science, precision measurements, and ultracold chemistry.


2019 ◽  
Author(s):  
Maxim Ivanov ◽  
Felix Bangerter ◽  
Anna I. Krylov

<div> <div> <div> <p>Access to cold molecules is critical for quantum information science, design of new sensors, ultracold chemistry, and search of new phenomena. These applications depend on the ability to laser-cool molecules. Theory and qualitative models can play a central role in narrowing down the vast pool of potential candidates amenable to laser cooling. We report a systematic study of structural and optical proper- ties of alkaline earth metal derivatives in the context of their applicability in laser cooling using equation-of-motion coupled-cluster methods. To rationalize and gen- eralize the results from high-level electronic structure calculations, we develop an effective Hamiltonian model. The model explains the observed trends and suggests new principles for the design of laser-coolable molecules. </p> </div> </div> </div>


2019 ◽  
Author(s):  
Maxim Ivanov ◽  
Felix Bangerter ◽  
Anna I. Krylov

<div> <div> <div> <p>Access to cold molecules is critical for quantum information science, design of new sensors, ultracold chemistry, and search of new phenomena. These applications depend on the ability to laser-cool molecules. Theory and qualitative models can play a central role in narrowing down the vast pool of potential candidates amenable to laser cooling. We report a systematic study of structural and optical proper- ties of alkaline earth metal derivatives in the context of their applicability in laser cooling using equation-of-motion coupled-cluster methods. To rationalize and gen- eralize the results from high-level electronic structure calculations, we develop an effective Hamiltonian model. The model explains the observed trends and suggests new principles for the design of laser-coolable molecules. </p> </div> </div> </div>


2020 ◽  
Author(s):  
Soumi Haldar ◽  
Kaushik Talukdar ◽  
Malaya K Nayak ◽  
Sourav Pal

The ground state molecular frame permanent dipole moment of alkaline earth metal monofluorides and the group-IIB monohydrides have been calculated using two analytic methods: Z-vector method and the linear expectation value method. Results obtained from this methods have been compared with the experimental values and different contributing terms to the total permanent dipole moment have been discussed thoroughly.<br>


2020 ◽  
Author(s):  
Soumi Haldar ◽  
Kaushik Talukdar ◽  
Malaya K Nayak ◽  
Sourav Pal

The ground state molecular frame permanent dipole moment of alkaline earth metal monofluorides and the group-IIB monohydrides have been calculated using two analytic methods: Z-vector method and the linear expectation value method. Results obtained from this methods have been compared with the experimental values and different contributing terms to the total permanent dipole moment have been discussed thoroughly.<br>


2020 ◽  
Vol 11 (16) ◽  
pp. 6670-6676 ◽  
Author(s):  
Maxim V. Ivanov ◽  
Felix H. Bangerter ◽  
Paweł Wójcik ◽  
Anna I. Krylov

Sign in / Sign up

Export Citation Format

Share Document