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M

Masaaki Saitow

Nagoya University

H指数:15

被引数:3,082

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Analytical first-order derivatives for second-order Møller-Plesset perturbation theory with pair-natural orbitals using localized virtual molecular orbitals: electronic response properties

基于对偶自然轨道和局域化虚拟分子轨道的二阶Møller-Plesset微扰理论的一阶解析导数及其电子响应性质

Chemistry Letters

IF1.1

2026-05-010

PRE

Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-05-160

PRE

Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-04-193

PRE

A local pair-natural orbital-based complete-active space perturbation theory using orthogonal localized virtual molecular orbitals

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-08-227

PRE

Thermally Stable Array of Discrete C60s on a Two-Dimensional Crystalline Adlayer of Macrocycles both in Vacuo and under Ambient Pressure

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2022-03-226

PRE

57Fe Mossbauer parameters from domain based local pair-natural orbital coupled-cluster theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-11-235

OAAI

A multireference coupled-electron pair approximation combined with complete-active space perturbation theory in local pair-natural orbital framework

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-03-1810

PREAI

Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T0/T)]

基于开壳域的局部对自然轨道耦合团簇单双理论的线性缩放扰动三元组校正近似 [dlpno-ccsd (T0/T)]

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-01-1067

PREAI

A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states

电子附着态运动方程耦合簇方法的基于域的局部对自然轨道实现

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-04-2964

PREAI

Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-01-3195

OAAI

Accurate Ionization Potentials, Electron Affinities and Electronegativities of Single-Walled Carbon Nanotubes by State-of-the-Art Local Coupled-Cluster Theory

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

IF3.8

2018-10-163

PREAI

Accurate spin-densities based on the domain-based local pair-natural orbital coupled-cluster theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-07-1958

PREAI

A nearlinear scaling equation of motion coupled cluster method for ionized states

用于电离态的运动耦合聚类方法的近线性缩放方程

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-06-2261

PREAI

Domain-Based Local Pair Natural Orbital Version of Mukherjee's State-Specific Coupled Cluster Method

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-01-1832

PREAI

Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-09-2649

OAAI

PSI4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-06-061.1K

OAAI

Parrish, Robert M.; Burns, Lori A.; Smith, Daniel G. A.; Simmonett, Andrew C.; DePrince, A. Eugene, III; Hohenstein, Edward G.; Bozkaya, Ugur; Sokolov, Alexander Yu.; Di Remigio, Roberto; Richard, Ryan M.; Gonthier, Jerome F.; James, Andrew M.; McAlexander, Harley R.; Kumar, Ashutosh; Saitow, Masaaki; Wang, Xiao; Pritchard, Benjamin P.; Prakash, Verma; Schaefer, Henry F., III; Patkowski, Konrad; King, Rollin A.; Valeev, Edward F.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-04-27336

PREAI

Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework

局部对自然轨道耦合簇框架内分子间相互作用能的分解

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-09-09239

PREAI

Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2015-10-1370

PREAI

Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-07-30120

PREAI