Concepedia

Accurate ab initio electronic structure calculations of the stable helium complex: HeBeO

Toshiyuki Takayanagi, Haruki Motegi, Yuriko Taketsugu, Tetsuya Taketsugu

Chemical Physics Letters · 2008 · 30 citations · 29 references

DOI

Concepts

References

29

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

Second-order perturbation theory with a complete active space self-consistent field reference function

Kerstin Andersson, Per‐Åke Malmqvist, Björn O. Roos · The Journal of Chemical Physics · 1992 · 3.9K citations

, , +12

Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1994 · 2.6K citations

, , +17

Generalized discrete variable approximation in quantum mechanics

J. C. Light, Ian Hamilton, James Lill · The Journal of Chemical Physics · 1985 · 1.7K citations

, , +16

An accurate and efficient scheme for propagating the time dependent Schrödinger equation

Hillel Tal‐Ezer, Ronnie Kosloff · The Journal of Chemical Physics · 1984 · 1.5K citations

, , +14