Dr Shamasundar K. R
vidwan id: 89459
Assistant Professor, Department of Chemical Sciences
Indian Institute of Science Education and Research(IISER), Mohali
Expertise
- Applied Chemistry
Publications
Publications
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Scopus
h-index
17
CrossRef
Citations
895
h-index
16
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Bio
Proper treatment of electron-correlation effects is very often necessary for quantitative (sometimes also for qualitative) description of electronic structure of atoms and molecules. Molecules with closed-shell electronic structure can be well-described by quantum chemical methods available in many program packages.
Personal Details
- Male
- Assistant Professor , Indian Institute of Science Education and Research(IISER), Mohali
- IISER Mohali
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Co-Authors (10)
Indian Institute of Science Bangalore
Indian Institute of Science Education and Research(IISER), Pune
Calcutta University
CSIR National Chemical Laboratory
Birla Institute of Technology and Science
N/A
VIT Bhopal University, Sehore
Maulana Azad National Institute of Technology
Bhatter College, Dantan
Indian Institute of Science Education and Research(IISER), Mohali
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Scholarly Publications
Intermediate hamiltonian Hilbert space coupled cluster method: Theory and pilot application
Open Access
10.1002/qua.22155
27
26
Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals
Open AccessReflections on size-extensivity, size-consistency and generalized extensivity in many-body theory
Open Access
10.1080/00268970500083952
96
101
A case study of state-specific and state-averaged Brueckner equation-of-motion coupled-cluster theory: The ionic-covalent avoided crossing in lithium fluoride
Open AccessA constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory
Open AccessHigher energy derivatives in Hilbert Space Multi-Reference Coupled ClusterTheory: A constrained variational approach
Open Access
10.3390/i3060710
13
13