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Mihály Kállay

budapest university of technology and economics

50H指数
213论文数
1.1W被引数
收录论文 100
发表时间
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Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples局部自然轨道任意阶耦合簇方法的发展及通过连接四线激发的评估
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-08
err0
errOAAI
errVladimir Fishman; Balázs D. Lőrincz; Emmanouil Semidalas; Aditya Barman; Jan M. L. Martin; Péter R. Nagy; Mihály Kállay
err分享
err收藏
A Linear-Scaling Integral-Direct Explicitly Correlated Second-Order Møller–Plesset Approach线性标度积分直接显式相关二阶Møller–Plesset方法
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-03
err0
errOAAI
errMihály Kállay; Péter R. Nagy; Bence Ladóczki; Dávid Mester
err分享
err收藏
From Energies to Geometries: Development and Validation of a Robust yet Accurate Tool for Explicitly Correlated Structural Optimizations at an Affordable Cost
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-12-01
err0
PREAI
errCrisci, Luigi; Kallay, Mihaly; Barone, Vincenzo
err分享
err收藏
One Basis Set to Rule Them All: Toward an Affordable Platinum Standard via Natural Orbital Thresholds
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-10-01
err1
PREAI
errDi Grande, Silvia; Kallay, Mihaly; Barone, Vincenzo
err分享
err收藏
Extending the Projection-Based Embedding Technique to Open-Shell Systems Using the Huzinaga Equation基于投影的嵌入技术向开放壳层系统的扩展：使用Huzinaga方程
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-17
err0
errOAAI
errBence Hégely; Mihály Kállay
err分享
err收藏
Enabling Accurate and Large-Scale Explicitly Correlated CCSD(T) Computations via a Reduced-Cost and Parallel Implementation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-26
err1
errOAAI
errLadoczki, Bence; Gyevi-Nagy, Laszlo; Nagy, Peter R.; Kallay, Mihaly
err分享
err收藏
Higher-order coupled-cluster calculations with basis-set corrections高阶耦合簇计算与基组修正
errCHEMICAL PHYSICS LETTERS
IF3.1
err2025-02-01
err5
errOAAI
errMester, David; Kallay, Mihaly
err分享
err收藏
Supramolecular Control of the Photoisomerization of a Coumarin-Based Photoswitch
errACS OMEGA
IF4.3
err2024-12-17
err0
errOAAI
errKiss, Etelka; Mester, David; Bojtar, Marton; Miskolczy, Zsombor; Biczok, Laszlo; Hessz, Dora; Kallay, Mihaly; Kubinyi, Miklos
err分享
err收藏
Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-29
err3
errOAAI
errMester, David; Nagy, Peter R.; Kallay, Mihaly
err分享
err收藏
Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-16
err4
PREAI
errSzirmai, Adam B.; Hegely, Bence; Tajti, Attila; Kallay, Mihaly; Szalay, Peter G.
err分享
err收藏
Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-26
err2
errOAAI
errCsoka, Jozsef; Hegely, Bence; Nagy, Peter R.; Kallay, Mihaly
err分享
err收藏
Photochemistry of a water-soluble coumarin-based photoswitch
errDYES AND PIGMENTS
IF4.2
err2024-01-01
err4
errOAAI
errHessz, Dora; Kiss, Etelka; Bojtar, Marton; Kunfi, Attila; Mester, David; Kallay, Mihaly; Kubinyi, Miklos
err分享
err收藏
Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-11
err11
errOAAI
errMester, David; Kallay, Mihaly
err分享
err收藏
Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-03
err8
errOAAI
errSzabo, P. Bernat; Csoka, Jozsef; Kallay, Mihaly; Nagy, Peter R.
err分享
err收藏
Accurate thermochemistry at affordable cost by means of an improved version of the JunChS-F12 model chemistry
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-07-11
err18
errOAAI
errDi Grande, S.; Kallay, M.; Barone, V.
err分享
err收藏
Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-16
err6
errOAAI
errMester, David; Kallay, Mihaly
err分享
err收藏
Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-03
err5
errOAAI
errMester, David; Kallay, Mihaly
err分享
err收藏
Turning Red without Feeling Embarrassed-Xanthenium-Based Photocages for Red-Light-Activated Phototherapeutics
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-02-08
err22
errOAAI
errEgyed, Alexandra; Nemeth, Krisztina; Molnar, Tibor A.; Kallay, Mihaly; Kele, Peter; Bojtar, Marton
err分享
err收藏
Double-Hybrid Density Functional Theory for Core Excitations: Theory and Benchmark Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-02-01
err9
errOAAI
errMester, David; Kallay, Mihaly
err分享
err收藏
Analytic gradients for local density fitting Hartree-Fock and Kohn-Sham methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-11
err4
PREAI
errCsoka, Jozsef; Kallay, Mihaly
err分享
err收藏

研究方向

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合作学者
合作期刊
V
Vincenzo Barone
H 指数: 106 · 论文数: 1.2K
J
Jan M. L. Martin
H 指数: 88 · 论文数: 552
J
Jürgen Gauß
H 指数: 85 · 论文数: 450
J
John F. Stanton
H 指数: 84 · 论文数: 861
W
Wim Klopper
H 指数: 76 · 论文数: 559
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