Zobrazeno 1 - 10
of 654
pro vyhledávání: '"Rajagopal, G"'
Autor:
Mohanasundaram, Dhanushkodi, Bhaskar, R., Lenin, N., Nehru, Kasi, Rajagopal, G., Kumar, Gujuluva Gangatharan Vinoth, Rajesh, Jegathalaprathaban
Publikováno v:
In Journal of Photochemistry & Photobiology, A: Chemistry 1 May 2022 427
Akademický článek
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Autor:
Ganesan, M.S., Raja, K. Kanmani, Murugesan, S., Kumar, Banoth Karan, Rajagopal, G., Thirunavukkarasu, S.
Publikováno v:
In Journal of Molecular Structure 5 October 2020 1217
Autor:
Ayyanaar S, Balachandran C, Bhaskar RC, Kesavan MP, Aoki S, Raja RP, Rajesh J, Webster TJ, Rajagopal G
Publikováno v:
International Journal of Nanomedicine, Vol Volume 15, Pp 3333-3346 (2020)
Srinivasan Ayyanaar,1 Chandrasekar Balachandran,2 Rangaswamy Chinnabba Bhaskar,3 Mookkandi Palsamy Kesavan,4 Shin Aoki,2,5 Ramachandran Palpandi Raja,6 Jegathalaprathaban Rajesh,7 Thomas J Webster,8 Gurusamy Rajagopal1 1PG and Research Department of
Externí odkaz:
https://doaj.org/article/5db7f8ca2071420b8d4cce0ea9f7abba
Quantum Monte Carlo simulations of interacting electrons in solids often use Slater-Jastrow trial wave functions with Jastrow factors containing one- and two-body terms. In uniform systems the long-range behavior of the two-body term may be deduced f
Externí odkaz:
http://arxiv.org/abs/cond-mat/0005305
Comment on 'Quantum Monte Carlo study of the dipole moment of CO' [J. Chem. Phys. 110, 11700 (1999)]
Recently Schautz and Flad concluded that the Hellmann-Feynman theorem holds within the fixed-node diffusion quantum Monte Carlo (DMC) method. We show that the Hellmann-Feynman expression is not in general equal to the derivative of the DMC energy wit
Externí odkaz:
http://arxiv.org/abs/cond-mat/9912243
The thermodynamic stability of structural isomers of $\mathrm{C}_{24}$, $\mathrm{C}_{26}$, $\mathrm{C}_{28}$ and $\mathrm{C}_{32}$, including fullerenes, is studied using density functional and quantum Monte Carlo methods. The energetic ordering of t
Externí odkaz:
http://arxiv.org/abs/physics/9909037
We investigate Monte Carlo energy and variance minimization techniques for optimizing many-body wave functions. Several variants of the basic techniques are studied, including limiting the variations in the weighting factors which arise in correlated
Externí odkaz:
http://arxiv.org/abs/cond-mat/9902300
Autor:
Kent, P. R. C., Hood, Randolph Q., Williamson, A. J., Needs, R. J., Foulkes, W. M. C., Rajagopal, G.
Further developments are introduced in the theory of finite size errors in quantum many-body simulations of extended systems using periodic boundary conditions. We show that our recently introduced Model Periodic Coulomb interaction [A. J. Williamson
Externí odkaz:
http://arxiv.org/abs/cond-mat/9810243
Publikováno v:
In Wear 15 November 2017 390-391:385-391