Concepedia

Miriam Heckert

MH

Statistics

Publications

5

Citations

800

H-Index

5

Active since

2005

Affiliations

Johannes Gutenberg University Mainz(Current)

Karlsruhe Institute of Technology

Budapest University of Technology and Economics

Miriam Heckert is an author at Johannes Gutenberg University Mainz specializing in molecular orbital theory, chemistry, and theoretical chemistry.

Publications per year

2005–2008

5

Publications

5

Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory

Miriam Heckert, Mihály Kállay, David P. Tew et al. · The Journal of Chemical Physics · 2006 · 268 citations

, , +17

Molecular equilibrium geometries based on coupled-cluster calculations including quadruple excitations

Miriam Heckert, Mihály Kállay · Molecular Physics · 2005 · 196 citations

, , +17

The accuracy of rotational constants predicted by high-level quantum-chemical calculations. I. molecules containing first-row atoms

Cristina Puzzarini, Miriam Heckert · The Journal of Chemical Physics · 2008 · 177 citations

, , +17

Basis Set Limit CCSD(T) Harmonic Vibrational Frequencies

David P. Tew, Wim Klopper, Miriam Heckert · The Journal of Physical Chemistry A · 2007 · 102 citations

, , +17

Towards a spin-adapted coupled-cluster theory for high-spin open-shell states

Miriam Heckert, Oliver Heun, Péter G. Szalay · The Journal of Chemical Physics · 2006 · 57 citations

, , +16

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