Dr. G. S. Vaitheeswaran

Publications in 2011 :

 

1.Lattice Dynamics and elastic Properties of the 4f electron System CeN

Kanchana, V. Vaitheeswaran, G. Zhang, X.c, Ma, Y.c, Svane, A.d, Eriksson, O,Physical Review B - Condensed Matter and Materials Physics 84 (20) , art. no. 205135(2011)

 

2.Electronic structure and optical properties of Ca(NH2BH3) 2 studied from GW calculations

Bheema Lingam,C., Ramesh Babu,K., Tewari, S.P., Vaitheeswaran, G. , Lebègue, S.Journal of Physical Chemistry C 115 (38) , pp. 18795-18801(2011)

 

3.Thermoelastic properties of ScB2, TiB2, YB4 and HoB4: Experimental and theoretical studies

Waśkowska, A., Gerward, L. , Staun Olsen, J., Ramesh Babu, K., Vaitheeswaran, G., Kanchana, V., Svane, A., Filipov, V.B., Levchenko, G., Lyaschenko, A,Acta Materialia 59 (12) , pp. 4886-4894(2011)

 

4.Structural, electronic, bonding, and elastic properties of NH3BH3: A density functional study

Bheema Lingam,C., Ramesh Babu, K., Tewari, S.P.ab, Vaitheeswaran, G, Journal of Computational Chemistry 32 (8) , pp. 1734-1742 (2011)

 

5.High-pressure structural study of yttrium monochalcogenides from experiment and theory

Vaitheeswaran, G., Kanchana, V., Svane, A., Christensen, N.E., Olsen, J.S., Jørgensen, J.-E., Gerward, L.Physical Review B - Condensed Matter and Materials Physics 83 (18) , art. no. 184108(2011)

 

6.High-pressure study of lithium azide from density-functional calculations

Ramesh Babu, K., Bheema Lingam, C., Tewari, S.P., Vaitheeswaran, G.,Journal of Physical Chemistry A 115 (17) , pp. 4521-4529(2011)

 

7.Electronic structure, optical properties, and bonding in alkaline-earth halofluoride scintillators: BaClF, BaBrF, and BaIF

Yedukondalu, N., Ramesh Babu, K., Bheemalingam, C., Singh, D.J., Vaitheeswaran, G., Kanchana, V.,Physical Review B - Condensed Matter and Materials Physics 83 (16) , art. no. 165117(2011)

 

8.HoB 4 at high pressure and low temperature: An experimental and theoretical study

Olsen, J.S., Waśkowska, A., Gerward, L., Vaitheeswaran, G., Kanchana, V., Svane, A., Shitsevalova, N., Fillipov, V.B.,High Pressure Research 31 (1) , pp. 3-6(2011)

 

9.Structural, thermodynamic and optical properties of MgF2 studied from first-principles theory

Ramesh Babu, K., Bheema Lingam, C., Auluck, S., Tewari, S.P., Vaitheeswaran, G.,Journal of Solid State Chemistry 184 (2) , pp. 343-350(2011)

 

10.Quantum chemical studies on beryllium hydride oligomers

Bheema Lingam,C, Ramesh Babu, K., Tewari, S.P., Vaitheeswaran, G.,Computational and Theoretical Chemistry 963 (2-3) , pp. 371-377(2011)

 

11.Quasiparticle band structure and optical properties of NH3BH3

Bheema Lingam, C., Ramesh Babu, K., Tewari, S.P., Vaitheeswaran, G., Lebègue, S.,Physica Status Solidi - Rapid Research Letters 5 (1) , pp. 10-12(2011)