A5059777356- Advanced Chemical Physics Studies
- Cold Atom Physics and Bose-Einstein Condensates
- Atomic and Molecular Physics
- Quantum Computing Algorithms and Architecture
- Quantum Information and Cryptography
- Atomic and Subatomic Physics Research
- Quantum and electron transport phenomena
- Spectroscopy and Laser Applications
- Inorganic Fluorides and Related Compounds
- Quantum many-body systems
- Quantum Mechanics and Applications
- Molecular Junctions and Nanostructures
- Quantum, superfluid, helium dynamics
- Nuclear physics research studies
- Mass Spectrometry Techniques and Applications
- Quantum optics and atomic interactions
- Machine Learning in Materials Science
- Radioactive Decay and Measurement Techniques
- Various Chemistry Research Topics
- Physics of Superconductivity and Magnetism
- History and advancements in chemistry
- Spectroscopy and Quantum Chemical Studies
- Astrophysics and Star Formation Studies
- Matrix Theory and Algorithms
- Advanced Condensed Matter Physics
Academy of Scientific and Innovative Research
2024-2025
TCG Crest
2023-2025
Physical Research Laboratory
2018-2022
Indian Institute of Technology Gandhinagar
2020
Indian Institute of Astrophysics
2014-2018
University of Calicut
2014-2018
Japan Science and Technology Agency
2015-2016
Static electric dipole moments of nondegenerate systems probe mass scales for physics beyond the Standard Model well those reached directly at high energy colliders. Discrimination between different models, however, requires complementary searches in atomic-molecular-and-optical, nuclear and particle physics. In this report, we discuss current status prospects near future a compelling suite such experiments, along with developments needed encompassing theoretical framework.
Heavy polar diatomic molecules are the primary tools for searching T-violating permanent electric dipole moment of electron (eEDM). Valence electrons in some experience extremely large effective fields due to relativistic interactions. These crucial success polar-molecule-based eEDM search experiments. Here we report on results ab initio calculations a series that highly sensitive an eEDM, mercury monohalides (HgF, HgCl, HgBr, and HgI). We study influence halide anions E_{eff}, identify HgBr...
The prospect of laser cooling polyatomic molecules has opened a new avenue in the search for electric dipole moment electron (eEDM). An upper bound on eEDM would probe physics arising from beyond Standard Model elementary particles. In this work, we report first theoretical results effective field experienced by YbOH, and its molecular moment, using relativistic coupled cluster theory. We compare these two properties YbOH with YbF, which also singly unoccupied orbital Yb ion. present...
Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining electric dipole moment electron ($e\mathrm{EDM}$), in order to explore physics beyond standard model, requires a synergy molecular experiment and theory. Recent advances this field have motivated us implement finite-field coupled-cluster (FFCC) approach. This work has distinct advantages over theoretical methods that we had used earlier analysis $e\mathrm{EDM}$ searches. We...
We report results for the computation of relativistic effects in quantum many-body systems using annealers. An average accuracy 98.9% fine-structure splitting boron-like ions with respect to experiments is achieved Quantum Annealer Eigensolver (QAE) algorithm on D-Wave Advantage 5000-qubit hardware, which substantially higher than that attained a gate-based device date. obtain these framework many-electron Dirac theory. implement QAE hybrid annealing method includes an alternative qubit...
Diatomic polar molecules have been the focus of research in recent past as candidates for electron electric dipole moment (eEDM), ${d}_{\text{e}}$, measurements. In present work, we on RaH molecule and calculated three its properties (in $X{\phantom{\rule{0.16em}{0ex}}}^{2}{\mathrm{\ensuremath{\Sigma}}}^{+}$ state) effective field (${E}_{\text{eff}}$), scalar-pseudoscalar (S-PS) interaction coefficient (${W}_{\text{s,A}}$), permanent (PDM) that play crucial roles probing fundamental symmetry...
Abstract Despite rapid progress in the development of quantum algorithms computing as well numerical simulation methods classical for atomic and molecular applications, no systematic comprehensive electronic structure study systems that covers almost all elements periodic table using a single algorithm has been reported. In this work, we address gap by implementing recently-proposed algorithm, Bayesian phase difference estimation (BPDE) approach, to determine fine splittings wide range...
Heavy polar diatomic molecules are currently one of the leading candidates for probing physics beyond Standard Model via studies time-reversal (T) and parity (P) violations. In this work, we analyze effective electric field (Eeff) that is required determining electron dipole moment (eEDM), scalar-pseudoscalar (S-PS) interaction constant (Ws), in group 12 2 systems. We use a relativistic coupled cluster method our calculations, find monofluorides have large Eeff Ws (for example, values CnF,...
Abstract The iterative quantum phase estimation algorithm (IQPE) is theoretically appealing in its wide scope of being able to handle electronic correlation. However, the quality initial input state strongly enhances probability landing on desired eigenstate. In this work, we systematically study two different parametrization schemes unitary coupled cluster (UCC) ansätz variational eigensolver (VQE) framework toward reference preparation for IQPE. efficacy UCC variants an appropriate studied...
Rapid progress in developing near- and long-term quantum algorithms for chemistry has provided us with an impetus to move beyond traditional approaches explore new ways apply computing electronic structure calculations. In this work, we identify the connection between many-body theory a linear solver, implement Harrow-Hassidim-Lloyd (HHL) algorithm make precise predictions of correlation energies light molecular systems via (nonunitary) linearized coupled cluster theory, where term ``light...
The interplay of the relativistic and correlation effects in permanent electric dipole moments $X{\phantom{\rule{0.16em}{0ex}}}^{2}{\mathrm{\ensuremath{\Sigma}}}^{+}$ electronic ground states alkaline-earth-metal monofluorides (BeF, MgF, CaF, SrF, BaF) has been studied using a coupled cluster method. calculations were carried out double, triple, quadruple zeta basis sets, with no core orbitals frozen. results are compared those other available literature experiments. trends these molecules...
Heavy polar diatomic molecules are the leading candidates in searches for permanent electric dipole moment of electron (eEDM). Next-generation eEDM search experiments ideally require extremely large coherence times, ensembles trapped that have a high sensitivity to eEDM. We consider family molecules, mercury-alkali diatomics, can be feasibly produced from ultracold atoms. present calculations effective fields experienced by these molecules. The combination reasonably fields, and...
The permanent electric dipole moment of the ${X}^{2}{\ensuremath{\Sigma}}^{+}$ electronic ground state strontium monofluoride molecule is calculated using a relativistic coupled-cluster method. Our result compared with those other calculations and that experiment. Individual contributions arising from different physical effects are presented. obtained suggests method used in present work capable yielding accurate results for moments molecules which cannot be ignored.
We report the results of our theoretical studies permanent electric dipole moments (PDMs) alkaline-earth-metal monohydride (AEMH) molecules, in their $X{\phantom{\rule{0.16em}{0ex}}}^{2}{\mathrm{\ensuremath{\Sigma}}}^{+}$ state, using a variant relativistic coupled-cluster theory singles and doubles approximation. It is most detailed evaluation to date correlation effects associated with this property for class molecules. The molecules that have been considered present work are BeH, MgH,...
In search of suitable molecular candidates for probing the electric dipole moment (EDM) electron (de), a property that arises due to parity and time-reversal violating (P,T-odd) interactions, we consider triatomic mercury hydroxide (HgOH) molecule. The impetus this proposal is based on previous works two systems: recently proposed ytterbium (YbOH) experiment demonstrates advantages polyatomics such EDM searches, finding halides provide highest enhancement de compared other diatomic...
The relativistic coupled-cluster (RCC) theory has been applied recently to a number of heavy molecules determine their properties very accurately. Since it demands large computational resources, the method is often approximated single and double excitations (RCCSD method). effective electric fields ( E e f ) molecular permanent dipole moments (PDMs) SrF, BaF, mercury monohalides (HgX with X = F, Cl, Br, I) are immense interest for probing fundamental physics. In our earlier calculations PDMs...
Mercury monohalides are promising candidates for electron electric dipole moment searches. This is due to their extremely large values of effective fields, besides other attractive experimental features. We have elucidated the theoretical reasons our previous work. also presented a detailed analysis calculations, by including most important correlation effects' contributions. analyzed major contributions field, at Dirac- Fock level, and identified those atomic orbitals' mixings that...
The emerging field of quantum simulation many-body systems is widely recognized as a very important application computing. A crucial step towards its realization in the context many-electron requires rigorous mechanical treatment different interactions. In this pilot study, we investigate physical effects beyond mean-field approximation, known electron correlation, ground state energies atomic using classical-quantum hybrid variational eigensolver algorithm. To end, consider three...
We analyze the electric dipole moments and static polarizabilities of alkali-metal--alkaline-earth-metal (Alk-AlkE) dimers by employing finite-field coupled-cluster methods in frameworks both nonrelativistic four-component spin-free relativistic theories. In order to carry out comparative analyses rigorously, we consider those Alk-AlkE molecules made lightest medium-heavy constituent atoms (Alk: Li Rb AlkE: Be through Sr). present behavior electron correlation effects as well related size...
In this work, we report the results from our spectroscopic study on AlF and AlCl molecules. We carry out detailed electronic structure calculations in both molecules, including obtaining potential energy surfaces of [Formula: see text] ground state some low-lying excited states belonging to symmetries. This is followed by evaluating constants molecular properties such as electric dipole moments quadrupole moments. Throughout, employ multi-reference configuration interaction method work with...
The quantum-classical hybrid Variational Quantum Eigensolver (VQE) algorithm is recognized to be the method of choice obtain ground state energies quantum many-body systems in noisy intermediate scale (NISQ) era. This study not only extends VQE relativistic regime, but also calculates a property other than energy, namely molecular permanent electric dipole moment (PDM). We carry out 18-qubit simulations as well PDMs single-valence diatomic molecules, ranging from light BeH heavy radioactive...
In this article, the molecular permanent electric dipole moments and components of static polarizabilities for electronic ground state singly charged aluminum monohalides are reported. The coupled-cluster method by considering single double excitations (CCSD) together with relativistic Dyall basis sets have been used to carry out these property calculations. contribution from triple incorporated through perturbative triples (CCSD(T)). results a series progressively larger extrapolated...
We broaden the scope of Quantum Annealer Eigensolver (QAE) algorithm, an underexplored noisy intermediate scale quantum (NISQ) era approach for calculating atomic and molecular properties, to predict avoided crossings, where strong correlation effects are at play. For this purpose, we consider classic example H$_4$ molecule in a rectangular geometry. Our results obtained on 5000-qubit D-Wave Advantage system 4.1 computer. benchmark our annealing with full configuration interaction (FCI) as...