Hiromi Nakai

发表

Computerized implementation of higher‐order electron‐correlation methods and their linear‐scaling divide‐and‐conquer extensions

Masahiko Nakano, Takeshi Yoshikawa, So Hirata, 2017, J. Comput. Chem..

Dcdftbmd: Divide‐and‐Conquer Density Functional Tight‐Binding Program for Huge‐System Quantum Mechanical Molecular Dynamics Simulations

Hiromi Nakai, Yoshifumi Nishimura, H. Nakai, 2019, J. Comput. Chem..

Wavelet transform analysis of ab initio molecular dynamics simulation: Application to core‐excitation dynamics of BF3

Hiromi Nakai, Takao Otsuka, H. Nakai, 2007, J. Comput. Chem..

Acceleration of self‐consistent field convergence in ab initio molecular dynamics simulation with multiconfigurational wave function

Hiromi Nakai, Masaki Okoshi, H. Nakai, 2014, J. Comput. Chem..

Special Issue: Seventh congress of the international society for theoretical chemical physics

Hiromi Nakai, Koji Ando, Takahito Nakajima, 2013 .

Linearity condition for orbital energies in density functional theory (III): Benchmark of total energies

Hiromi Nakai, Yutaka Imamura, Rie Kobayashi, 2013, J. Comput. Chem..

A Layout of the Facilities for Hull Construction of Huge Ships

Hiromi Nakai, Fumiyoshi Kanatani, Yoshikatsu Kitamura, 1968 .

Kinetic energy decomposition scheme based on information theory

Hiromi Nakai, Jun Suzuki, Yutaka Imamura, 2013, J. Comput. Chem..

Description of core excitations by time‐dependent density functional theory with local density approximation, generalized gradient approximation, meta‐generalized gradient approximation, and hybrid functionals

Hiromi Nakai, Takao Otsuka, Yutaka Imamura, 2007, J. Comput. Chem..

Construction of orbital-specific hybrid functional by imposing the linearity condition for orbital energies in density functional theory

Hiromi Nakai, Yutaka Imamura, Rie Kobayashi, 2011, ICCS.

Informatics‐Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set Limit

Junji Seino, Hiromi Nakai, H. Nakai, 2016, J. Comput. Chem..

Energy density analysis of cluster size dependence of surface–molecule interactions (II): Formate adsorption onto a Cu(111) surface

Hiromi Nakai, Yasuaki Kikuchi, 2006, J. Comput. Chem..

Energy density analysis for second‐order Møller‐Plesset perturbation theory and coupled‐cluster theory with singles and doubles: Application to C2H4CH4 complexes

Hiromi Nakai, Yutaka Imamura, H. Nakai, 2008, J. Comput. Chem..

Efficient pole‐search algorithm for dynamic polarizability: Toward alternative excited‐state calculation for large systems

Takeshi Yoshikawa, Hiromi Nakai, Yutaro Nonaka, 2017, J. Comput. Chem..

Linear‐scaling self‐consistent field calculations based on divide‐and‐conquer method using resolution‐of‐identity approximation on graphical processing units

Takeshi Yoshikawa, Hiromi Nakai, H. Nakai, 2015, J. Comput. Chem..

Short‐time Fourier transform analysis of ab initio molecular dynamics simulation: Collision reaction between CN and C4H6

Hiromi Nakai, Yusuke Yamauchi, Mari Tamaoki, 2005, J. Comput. Chem..

Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide‐and‐conquer, density‐functional tight‐binding, and massively parallel computation

Masato Kobayashi, Hiromi Nakai, Yoshifumi Nishimura, 2016, J. Comput. Chem..

Extension of accompanying coordinate expansion and recurrence relation method for general‐contraction basis sets

Junji Seino, Hiromi Nakai, Masao Hayami, 2014, J. Comput. Chem..

Revisiting the extrapolation of correlation energies to complete basis set limit

Hiromi Nakai, Masaki Okoshi, Teruo Atsumi, 2015, J. Comput. Chem..

Theoretical study on the excited states of psoralen compounds bonded to a thymine residue

Hiromi Nakai, H. Takahashi, Ayako Nakata, 2004, J. Comput. Chem..

A divide-and-conquer method with approximate Fermi levels for parallel computations

Hiromi Nakai, Takeshi Yoshikawa, 2015, Theoretical Chemistry Accounts.

Parallel implementation of efficient charge–charge interaction evaluation scheme in periodic divide‐and‐conquer density‐functional tight‐binding calculations

Hiromi Nakai, Yoshifumi Nishimura, H. Nakai, 2018, J. Comput. Chem..

Local response dispersion method in periodic systems: Implementation and assessment

Hiromi Nakai, Yusuke Tsukamoto, Yutaka Imamura, 2015, J. Comput. Chem..

Application of the Sakurai‐Sugiura projection method to core‐excited‐state calculation by time‐dependent density functional theory

Masato Kobayashi, Hiromi Nakai, Takashi Tsuchimochi, 2008, J. Comput. Chem..

Implementation of divide‐and‐conquer method including Hartree‐Fock exchange interaction

Masato Kobayashi, Hiromi Nakai, Tomoko Akama, 2007, J. Comput. Chem..

Colle‐Salvetti‐type correction for electron–nucleus correlation in the nuclear orbital plus molecular orbital theory

Hiromi Nakai, Yutaka Imamura, Hiroyoshi Kiryu, 2008, J. Comput. Chem..

Linear-scaling electronic structure calculation program based on divide-and-conquer method

Masato Kobayashi, Hiromi Nakai, H. Nakai, 2011, ICCS.

Two‐level hierarchical parallelization of second‐order Møller–plesset perturbation calculations in divide‐and‐conquer method

Masato Kobayashi, Hiromi Nakai, Shigeru Nagase, 2011, J. Comput. Chem..

RAQET: Large‐scale two‐component relativistic quantum chemistry program package

Masahiko Nakano, Takeshi Yoshikawa, So Hirata, 2018, J. Comput. Chem..

Assessment of left ventricular dyssynchrony with real-time 3-dimensional echocardiography: comparison with Doppler tissue imaging.

Hiromi Nakai, Lynn Weinert, Lissa Sugeng, 2007, Journal of the American Society of Echocardiography : official publication of the American Society of Echocardiography.

Pitfalls of anatomical aortic valve area measurements using two-dimensional transoesophageal echocardiography and the potential of three-dimensional transoesophageal echocardiography.

Hiromi Nakai, Masaaki Takeuchi, Yutaka Otsuji, 2010, European journal of echocardiography : the journal of the Working Group on Echocardiography of the European Society of Cardiology.

Reduced and delayed untwisting of the left ventricle in patients with hypertension and left ventricular hypertrophy: a study using two-dimensional speckle tracking imaging.

Hiromi Nakai, Shinichiro Otani, Roberto M Lang, 2008, European heart journal.

Age-related changes in left ventricular twist assessed by two-dimensional speckle-tracking imaging.

Hiromi Nakai, Shinichiro Otani, Roberto M Lang, 2006, Journal of the American Society of Echocardiography : official publication of the American Society of Echocardiography.