발행물
컨퍼런스
the Fifth Asian Pacific Conference of Theoretical and Computational Chemistry
2011
,
An accelerated density matrix purification scheme using generalized non-purifying functions
The 3rd SWOCS (Symposium/Workshop of Computational Sciences 2011)
A fast density functional theory for accurate description of van der Waals interactions and thermochemistry
108회 대한화학회 학술발표회
An optimized density matrix purification scheme using generalized non-purifying functions for linear scaling SCF calculations
7th congress of the International Society for Teoretical Chemical Physics
Favorable confinement of water inside the carbon nanotubes is driven by hydrogen bond and entropy
7th Congress of the International Society for Theoretical Chemical Physics
Cubic scaling doubly hybrid density functional method close to chemical accuracy and its gradient theory