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Physical Chemistry Chemical Physics : PCCP
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March 20, 2008
Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6
Kiyoshi Yagi, So Hirata, Kimihiko Hirao
The Journal of Chemical Physics
|
December 5, 2012
Optimized coordinates for anharmonic vibrational structure theories
Kiyoshi Yagi, Murat Keçeli, So Hirata
The Journal of Chemical Physics
|
July 7, 2007
Second- and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states
Toru Shiozaki, Kimihiko Hirao, So Hirata
The Journal of Chemical Physics
|
February 27, 2008
Fast electron correlation methods for molecular clusters without basis set superposition errors
Muneaki Kamiya, So Hirata, Marat Valiev
Journal of Chemical Theory and Computation
|
December 3, 2015
Active-Space Equation-of-Motion Coupled-Cluster Methods through Quadruples for Excited, Ionized, and Electron-Attached States
Peng-Dong Fan, Muneaki Kamiya, So Hirata
The Journal of Chemical Physics
|
August 7, 2009
Explicitly correlated combined coupled-cluster and perturbation methods
Toru Shiozaki, Edward F Valeev, So Hirata
The Journal of Chemical Physics
|
July 12, 2012
Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections
Matthew R Hermes, Murat Keçeli, So Hirata
The Journal of Chemical Physics
|
December 11, 2013
Asymptotic expansion of two-electron integrals and its application to Coulomb and exchange lattice sums in metallic, semimetallic, and nonmetallic crystals
Tomonori Yamada, Ryan P Brewster, So Hirata
The Journal of Chemical Physics
|
February 10, 2018
Similarity-transformed equation-of-motion vibrational coupled-cluster theory
Jacob A Faucheaux, Marcel Nooijen, So Hirata
The Journal of Chemical Physics
|
December 5, 2012
Stochastic evaluation of second-order many-body perturbation energies
Soohaeng Yoo Willow, Kwang S Kim, So Hirata
Page
of 12
Search research articles
Search
Showing results (51-60 of 112) with videos related to
Sort By:
Page
of 12
Physical Chemistry Chemical Physics : PCCP
|
March 20, 2008
Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6
Kiyoshi Yagi, So Hirata, Kimihiko Hirao
The Journal of Chemical Physics
|
December 5, 2012
Optimized coordinates for anharmonic vibrational structure theories
Kiyoshi Yagi, Murat Keçeli, So Hirata
The Journal of Chemical Physics
|
July 7, 2007
Second- and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states
Toru Shiozaki, Kimihiko Hirao, So Hirata
The Journal of Chemical Physics
|
February 27, 2008
Fast electron correlation methods for molecular clusters without basis set superposition errors
Muneaki Kamiya, So Hirata, Marat Valiev
Journal of Chemical Theory and Computation
|
December 3, 2015
Active-Space Equation-of-Motion Coupled-Cluster Methods through Quadruples for Excited, Ionized, and Electron-Attached States
Peng-Dong Fan, Muneaki Kamiya, So Hirata
The Journal of Chemical Physics
|
August 7, 2009
Explicitly correlated combined coupled-cluster and perturbation methods
Toru Shiozaki, Edward F Valeev, So Hirata
The Journal of Chemical Physics
|
July 12, 2012
Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections
Matthew R Hermes, Murat Keçeli, So Hirata
The Journal of Chemical Physics
|
December 11, 2013
Asymptotic expansion of two-electron integrals and its application to Coulomb and exchange lattice sums in metallic, semimetallic, and nonmetallic crystals
Tomonori Yamada, Ryan P Brewster, So Hirata
The Journal of Chemical Physics
|
February 10, 2018
Similarity-transformed equation-of-motion vibrational coupled-cluster theory
Jacob A Faucheaux, Marcel Nooijen, So Hirata
The Journal of Chemical Physics
|
December 5, 2012
Stochastic evaluation of second-order many-body perturbation energies
Soohaeng Yoo Willow, Kwang S Kim, So Hirata
Page
of 12