Nayana Vaval

发表

Relativistic coupled-cluster study of RaF as a candidate for the parity- and time-reversal-violating interaction

S. Pal, S. Sasmal, M. K. Nayak, 2016, 1602.08200.

Multipole moments using extended coupled cluster method

Nayana Vaval, S. Joshi, N. Vaval, 2013 .

Nuclear parity- and time-reversal-symmetry violation in the HgH201 molecule

S. Pal, M. K. Nayak, Nayana Vaval, 2019, Physical Review A.

Electric properties of molecules using stationary coupled-cluster method

Nayana Vaval, Sourav Pal, S. Pal, 2004, J. Comput. Methods Sci. Eng..

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

S. Pal, M. K. Nayak, Nayana Vaval, 2023, Theoretical Chemistry Accounts.

Relativistic coupled-cluster study of BaF in search of CP violation

S. Pal, M. K. Nayak, Nayana Vaval, 2020, Journal of Physics B: Atomic, Molecular and Optical Physics.

Role of electron correlation in the P,T -odd effects of CdH: A relativistic coupled-cluster investigation

S. Pal, M. K. Nayak, Nayana Vaval, 2020, Physical Review A.

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

S. Pal, M. K. Nayak, Nayana Vaval, 2018, The Journal of chemical physics.

EOMIP-CCSD(2)*: an efficient method for the calculation of ionization potentials.

Achintya Kumar Dutta, Nayana Vaval, Sourav Pal, 2015, Journal of chemical theory and computation.

Partitioned EOMEA-MBPT(2): An Efficient N(5) Scaling Method for Calculation of Electron Affinities.

Achintya Kumar Dutta, Jitendra Gupta, Nayana Vaval, 2014, Journal of chemical theory and computation.

Relativistic equation-of-motion coupled-cluster method for the electron attachment problem

S. Pal, S. Sasmal, M. K. Nayak, 2015, 1504.04162.

Extended coupled-cluster approach for magnetizabilities of small molecules

S. Pal, Prashant Manohar, Nayana Vaval, 2004 .

An extended coupled-cluster functional for molecular properties: study of an analytical and numerical approach

S. Pal, Nayana Vaval, A. Kumar, 1998 .

Negative Ion Resonance States: The Fock-Space Coupled-Cluster Way.

S. Pal, Y. Sajeev, Nayana Vaval, 2020, The journal of physical chemistry. A.

Ab initio lifetimes in the interatomic Coulombic decay of neon clusters computed with propagators.

L. Cederbaum, Nayana Vaval, N. Vaval, 2007, The Journal of chemical physics.

Intermediate Hamiltonian Fock Space Multireference Coupled Cluster Approach to Core Excitation Spectra.

Achintya Kumar Dutta, Jitendra Gupta, Nayana Vaval, 2014, Journal of chemical theory and computation.

Auger decay rates of core hole states using equation of motion coupled cluster method

S. Pal, Nayana Vaval, N. Vaval, 2017 .

Extended Coupled Cluster Approach for Molecular Properties: Study of H2O and HF Complexes

S. Pal, Nayana Vaval, N. Vaval, 2001 .

Molecular properties using bi-orthogonal functional: a de-coupled scheme

Nayana Vaval, 2000 .

Extended coupled cluster for Raman and infrared spectra of small molecules

S. Pal, A. Dutta, Nayana Vaval, 2012 .

Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals#

S. Pal, Nayana Vaval, D. Bhattacharya, 2012, Journal of Chemical Sciences.

Coupled cluster methods for autoionisation resonances

Nayana Vaval, Sourav Pal, S. Pal, 2014 .

Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on Auger and shape resonances.

S. Pal, M. Mishra, Y. Sajeev, 2004, The Journal of chemical physics.

Nonlinear molecular properties using biorthogonal response approach

S. Pal, Nayana Vaval, K. B. Ghose, 1994 .

Stationary coupled cluster response: Role of cubic terms in molecular properties

S. Pal, Nayana Vaval, K. B. Ghose, 1994, Proceedings / Indian Academy of Sciences.

Study of constant term for electron–molecule scattering: F2, H2CO and H2O target examples

S. Pal, Nayana Vaval, N. Vaval, 2001 .

Effect of Triples to Dipole Moments in Fock-Space Multireference Coupled Cluster Method.

S. Pal, Nayana Vaval, N. Vaval, 2011, Journal of chemical theory and computation.

Equation-of-motion coupled-cluster method for the study of shape resonance.

S. Pal, Nayana Vaval, N. Vaval, 2012, The Journal of chemical physics.

Analytically continued Fock space multi-reference coupled-cluster theory: Application to the shape resonance

S. Pal, Y. Sajeev, Nayana Vaval, 2006 .

Interatomic Coulombic decay in (n = 2–3) clusters using CAP/EOM-CCSD method

S. Pal, Nayana Vaval, N. Vaval, 2014 .

Electron attachment to DNA and RNA nucleobases: An EOMCC investigation

S. Pal, Nayana Vaval, N. Vaval, 2014, 1409.7266.

Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation.

S. Pal, A. Dutta, Nayana Vaval, 2014, The journal of physical chemistry. A.

Electronic transition dipole moments and dipole oscillator strengths within Fock-space multi-reference coupled cluster framework: an efficient and novel approach.

S. Pal, Nayana Vaval, D. Bhattacharya, 2013, The Journal of chemical physics.

Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications

S. Pal, Prashant Manohar, Nayana Vaval, 2006 .

Magnetizability of doublet radicals using Fock space multi-reference coupled cluster method

S. Pal, Nayana Vaval, L. Ravichandran, 2009 .

Effect of charge and solvation shell on non-radiative decay processes in s-block cationic metal ion water clusters.

Ravi Kumar, Nayana Vaval, Aryya Ghosh, 2023, The Journal of chemical physics.

Ground state of naphthyl cation: singlet or triplet?

S. Pal, A. Dutta, Prashant Manohar, 2014, The Journal of chemical physics.

Density functional study on the structure and stability of positive iron rare-gas complexes, Fe+Xn (X=Ar, Xe; n=1–6)

R. Gdanitz, S. Bililign, Nayana Vaval, 2003 .

Geometry-dependent lifetime of Interatomic coulombic decay using equation-of-motion coupled cluster method.

Nayana Vaval, N. Vaval, A. Ghosh, 2014, The Journal of chemical physics.

CAP/EOM-CCSD method for the study of potential curves of resonant states.

Nayana Vaval, Sourav Pal, S. Pal, 2013, Physical chemistry chemical physics : PCCP.

Study of interatomic Coulombic decay of Ne(H2O)n (n = 1,3) clusters using equation-of-motion coupled-cluster method.

S. Pal, Nayana Vaval, N. Vaval, 2013, The Journal of chemical physics.

Fock space multireference coupled cluster theory: Study of shape resonance

S. Bhattacharya, S. Pal, Nayana Vaval, 2013 .

Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities

S. Pal, P. Calaminici, J. Vásquez-Pérez, 2015 .