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Permanent electric dipole moment of diatomic molecules using relativistic extended–coupled–cluster method

Theoretical chemistry accounts, 2024-05, Vol.143 (5), Article 43

2024

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Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics

Theoretical chemistry accounts, 2023-02, Vol.142 (2), Article 15

2023

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Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides

The Journal of chemical physics, 2020-11, Vol.153 (18), p.184306-184306

2020

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The DIRAC code for relativistic molecular calculations

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204104-204104

2020

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A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, implementation, and benchmark

The Journal of chemical physics, 2022-11, Vol.157 (20), p.204106-204106

2022

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Relativistic coupled-cluster investigation of parity (P) and time-reversal (T ) symmetry violations in HgF

The Journal of chemical physics, 2019-02, Vol.150 (8), p.084304-084304

2019

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A reduced cost four-component relativistic unitary coupled cluster method for atoms and molecules

The Journal of chemical physics, 2024-07, Vol.161 (3)

2024

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TaN, a molecular system for probing P , T -violating hadron physics

Physical review. A, 2016-01, Vol.93 (1), Article 012505

2016

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Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential

The Journal of chemical physics, 2016-08, Vol.145 (7), p.074110-074110

2016

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Molecular frame dipole moment of diatomic molecules within relativistic coupled‐cluster framework: A comparative study of expectation value versus energy derivative approach

International journal of quantum chemistry, 2021-10, Vol.121 (20), p.n/a

2021

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A reduced cost four-component relativistic coupled cluster method based on natural spinors

The Journal of chemical physics, 2022-05, Vol.156 (20), p.204120-204120

2022

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Enhanced P,T-violating nuclear magnetic quadrupole moment effects in laser-coolable molecules

The Journal of chemical physics, 2020-02, Vol.152 (8), p.084303-084303

2020

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Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study

The Journal of chemical physics, 2016-03, Vol.144 (12), p.124307-124307

2016

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Ab initio calculations of permanent dipole moments and dipole polarizabilities of alkaline-earth monofluorides

Journal of physics. B, Atomic, molecular, and optical physics, 2019-04, Vol.52 (8), p.85101

2019

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Calculations of P and T-odd interaction constants of alkaline-earth monofluorides using KRCI method

Journal of physics. B, Atomic, molecular, and optical physics, 2020-07, Vol.53 (13)

2020

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Theoretical study on ThF+, a prospective system in search of time-reversal violation

New journal of physics, 2015-04, Vol.17 (4), p.43005

2015

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Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states

The Journal of chemical physics, 2020-03, Vol.152 (10), p.104302-104302

2020

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Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework

Molecular physics, 2017-11, Vol.115 (21-22), p.2807-2812

2017

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Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework

The Journal of chemical physics, 2015-08, Vol.143 (8), p.084119-084119

2015

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Relativistic coupled-cluster study of BaF in search of $\boldsymbol{\mathcal{CP}}$ violation

Journal of physics. B, Atomic, molecular, and optical physics, 2020-07, Vol.53 (13), p.135102

2020

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Re-appraisal of the hyperfine-structure constants in YbF: relativistic configuration interaction approach

Journal of physics. B, Atomic, molecular, and optical physics, 2014-11, Vol.47 (22), p.225103-5

2014

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Information and Communication Technology for Sustainable Development: Proceedings of ICT4SD 2016, Volume 2

1, 2017

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Information and Communication Technology for Sustainable Development: Proceedings of ICT4SD 2016, Volume 1

1, 2017

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Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework

Journal of chemical sciences (Bangalore, India), 2016-10, Vol.128 (10), p.1671-1675

2016

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Ab initio calculation of the P -odd interaction constant W A in YbF: a relativistic configuration-interaction approach

Journal of physics. B, Atomic, molecular, and optical physics, 2013-09, Vol.46 (17), p.175102

2013

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Permanent electric dipole moment of diatomic molecules using relativistic extended–coupled–cluster method

Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics

Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides

The DIRAC code for relativistic molecular calculations

A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, implementation, and benchmark

Relativistic coupled-cluster investigation of parity (P) and time-reversal (T ) symmetry violations in HgF

A reduced cost four-component relativistic unitary coupled cluster method for atoms and molecules

TaN, a molecular system for probing P , T -violating hadron physics

Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential

Molecular frame dipole moment of diatomic molecules within relativistic coupled‐cluster framework: A comparative study of expectation value versus energy derivative approach

A reduced cost four-component relativistic coupled cluster method based on natural spinors

Enhanced P,T-violating nuclear magnetic quadrupole moment effects in laser-coolable molecules

Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study

Ab initio calculations of permanent dipole moments and dipole polarizabilities of alkaline-earth monofluorides

Calculations of P and T-odd interaction constants of alkaline-earth monofluorides using KRCI method

Theoretical study on ThF+, a prospective system in search of time-reversal violation

Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states

Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework

Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework

Relativistic coupled-cluster study of BaF in search of $\boldsymbol{\mathcal{CP}}$ violation

Re-appraisal of the hyperfine-structure constants in YbF: relativistic configuration interaction approach

Information and Communication Technology for Sustainable Development: Proceedings of ICT4SD 2016, Volume 2

Information and Communication Technology for Sustainable Development: Proceedings of ICT4SD 2016, Volume 1

Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework

Ab initio calculation of the P -odd interaction constant W A in YbF: a relativistic configuration-interaction approach

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