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The Journal of Chemical Physics
|
March 3, 2012
Canonical transcorrelated theory with projected Slater-type geminals
Takeshi Yanai, Toru Shiozaki
The Journal of Chemical Physics
|
June 25, 2009
High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds
Yuki Kurashige, Takeshi Yanai
The Journal of Chemical Physics
|
March 23, 2020
A multireference coupled-electron pair approximation combined with complete-active space perturbation theory in local pair-natural orbital framework
Masaaki Saitow, Takeshi Yanai
The Journal of Chemical Physics
|
December 3, 2013
Flexible nuclear screening approximation to the two-electron spin-orbit coupling based on ab initio parameterization
Jakub Chalupský, Takeshi Yanai
Journal of Chemical Theory and Computation
|
August 2, 2016
Hyperfine Coupling Constants from Internally Contracted Multireference Perturbation Theory
Toru Shiozaki, Takeshi Yanai
The Journal of Chemical Physics
|
September 15, 2011
Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer
Yuki Kurashige, Takeshi Yanai
The Journal of Chemical Physics
|
June 21, 2013
Correlated one-body potential from second-order Møller-Plesset perturbation theory: alternative to orbital-optimized MP2 method
Tran Nguyen Lan, Takeshi Yanai
Journal of Chemical Theory and Computation
|
May 23, 2017
Projector Augmented Wave Method Incorporated into Gauss-Type Atomic Orbital Based Density Functional Theory
Xiao-Gen Xiong, Takeshi Yanai
Journal of Chemical Theory and Computation
|
April 16, 2016
Computational Evidence of Inversion of (1)La and (1)Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study
Soichi Shirai, Yuki Kurashige, Takeshi Yanai
The Journal of Chemical Physics
|
September 14, 2010
Communication: Novel quantum states of electron spins in polycarbenes from ab initio density matrix renormalization group calculations
Wataru Mizukami, Yuki Kurashige, Takeshi Yanai
Page
of 12
Search research articles
Search
Showing results (1-10 of 112) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
March 3, 2012
Canonical transcorrelated theory with projected Slater-type geminals
Takeshi Yanai, Toru Shiozaki
The Journal of Chemical Physics
|
June 25, 2009
High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds
Yuki Kurashige, Takeshi Yanai
The Journal of Chemical Physics
|
March 23, 2020
A multireference coupled-electron pair approximation combined with complete-active space perturbation theory in local pair-natural orbital framework
Masaaki Saitow, Takeshi Yanai
The Journal of Chemical Physics
|
December 3, 2013
Flexible nuclear screening approximation to the two-electron spin-orbit coupling based on ab initio parameterization
Jakub Chalupský, Takeshi Yanai
Journal of Chemical Theory and Computation
|
August 2, 2016
Hyperfine Coupling Constants from Internally Contracted Multireference Perturbation Theory
Toru Shiozaki, Takeshi Yanai
The Journal of Chemical Physics
|
September 15, 2011
Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer
Yuki Kurashige, Takeshi Yanai
The Journal of Chemical Physics
|
June 21, 2013
Correlated one-body potential from second-order Møller-Plesset perturbation theory: alternative to orbital-optimized MP2 method
Tran Nguyen Lan, Takeshi Yanai
Journal of Chemical Theory and Computation
|
May 23, 2017
Projector Augmented Wave Method Incorporated into Gauss-Type Atomic Orbital Based Density Functional Theory
Xiao-Gen Xiong, Takeshi Yanai
Journal of Chemical Theory and Computation
|
April 16, 2016
Computational Evidence of Inversion of (1)La and (1)Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study
Soichi Shirai, Yuki Kurashige, Takeshi Yanai
The Journal of Chemical Physics
|
September 14, 2010
Communication: Novel quantum states of electron spins in polycarbenes from ab initio density matrix renormalization group calculations
Wataru Mizukami, Yuki Kurashige, Takeshi Yanai
Page
of 12