Daniel Gräf - Publications, H-index & Citations

Daniel Gräf

Ludwig-Maximilians-Universitat Munchen

11H指数

44论文数

377被引数

收录论文 17

发表时间

A Benchmark and Basis-Set Extrapolation Study of Hyperfine Coupling Constants from the Random Phase Approximation and σ-Functionals 高精度基准和基组外推研究：从随机相位近似和σ-泛函获取超精细耦合常数

The Journal of Physical Chemistry A

IF2.8

2026-04-23

OAAI

Daniel Graf; Lu Liu; Florian Siekmann; Viktoria Drontschenko; Christian Ochsenfeld

Quantum chemistry - from the first steps to linear-scaling electronic structure methods 量子化学——从最初步骤到线性标度电子结构方法

PURE AND APPLIED CHEMISTRY

IF2

2025-11-01

PREAI

Graf, Daniel; Drontschenko, Viktoria; Stan-Bernhardt, Alexandra; Ochsenfeld, Christian

Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: Translational eigenstates of Ne@C70

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-08-02

PREAI

Panchagnula, K.; Graf, D.; Johnson, E. R.; Thom, A. J. W.

Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-03-11

OAAI

Panchagnula, K.; Graf, D.; Albertani, F. E. A.; Thom, A. J. W.

Corrected density functional theory and the random phase approximation: Improved accuracy at little extra cost

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-11-03

OAAI

Graf, Daniel; Thom, Alex J. W.

Simple and Efficient Route toward Improved Energetics within the Framework of Density-Corrected Density Functional Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-08-01

OAAI

Graf, Daniel; Thom, Alex J. W.

Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-03-30

PREAI

Ambroise, M. A.; Sacchetta, F.; Graf, D.; Ochsenfeld, C.; Dreuw, A.

Efficient Method for the Computation of Frozen-Core Nuclear Gradients within the Random Phase Approximation 在随机相位近似中计算冻结核梯度的有效方法

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-11-04

PREAI

Drontschenko, Viktoria; Graf, Daniel; Laqua, Henryk; Ochsenfeld, Christian

An effective sub-quadratic scaling atomic-orbital reformulation of the scaled opposite-spin RI-CC2 ground-state model using Cholesky-decomposed densities and an attenuated Coulomb metric

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-09-08

OAAI

Sacchetta, F.; Graf, D.; Laqua, H.; Ambroise, M. A.; Kussmann, J.; Dreuw, A.; Ochsenfeld, C.

Benchmarking the Accuracy of the Direct Random Phase Approximation and σ-Functionals for NMR Shieldings

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-12-13

PREAI

Glasbrenner, Michael; Graf, Daniel; Ochsenfeld, Christian

Lagrangian-Based Minimal-Overhead Batching Scheme for the Efficient Integral-Direct Evaluation of the RPA Correlation Energy 基于拉格朗日的最小开销批处理方案，用于RPA相关能量的有效积分直接评估

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-08-25

PREAI

Drontschenko, Viktoria; Graf, Daniel; Laqua, Henryk; Ochsenfeld, Christian

A range-separated generalized Kohn-Sham method including a long-range nonlocal random phase approximation correlation potential 包括远程非局部随机相位近似相关势的范围分离广义kohn-sham方法

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-12-29

PREAI

Graf, Daniel; Ochsenfeld, Christian

Efficient Reduced-Scaling Second-Order Moller-Plesset Perturbation Theory with Cholesky-Decomposed Densities and an Attenuated Coulomb Metric 具有Cholesky分解密度和衰减的库仑度量的有效缩减缩放二阶Moller-pleset扰动理论

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-10-19

PREAI

Glasbrenner, Michael; Graf, Daniel; Ochsenfeld, Christian

Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark 范围分离的密度泛函理论与随机相位近似相结合: 精度基准

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-04-24

PREAI

Kreppel, Andrea; Graf, Daniel; Laqua, Henryk; Ochsenfeld, Christian

Low-Scaling Self-Consistent Minimization of a Density Matrix Based Random Phase Approximation Method in the Atomic Orbital Space

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-08-01

PREAI

Graf, Daniel; Beuerle, Matthias; Ochsenfeld, Christian

Efficient calculation of beyond RPA correlation energies in the dielectric matrix formalism

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-05-23

PREAI

Beuerle, Matthias; Graf, Daniel; Schurkus, Henry F.; Ochsenfeld, Christian

Accurate and Efficient Parallel Implementation of an Effective Linear-Scaling Direct Random Phase Approximation Method

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-04-16

PREAI

Graf, Daniel; Beuerle, Matthias; Schurkus, Henry F.; Luenser, Arne; Savasci, Goekcen; Ochsenfeld, Christian

研究方向