Source: Journal of Chemical Physics; 11/21/2023, Vol. 159 Issue 19, p1-17, 17p
Subject Terms: DENSITY functional theory, PERTURBATION theory, FUNCTIONALS
Authors: Wei, Ziyang, Martirez, John Mark P., Carter, Emily A.
Source: Journal of Chemical Physics; 11/21/2023, Vol. 159 Issue 19, p1-13, 13p
Subject Terms: COPPER, DENSITY functional theory, PERTURBATION theory, HETEROGENEOUS catalysis, BRILLOUIN zones
Authors: Tran, Henry K., Berkelbach, Timothy C.
Source: Journal of Chemical Physics; 11/21/2023, Vol. 159 Issue 19, p1-9, 9p
Subject Terms: HARMONIC oscillators, POTENTIAL energy surfaces, STRUCTURAL analysis (Engineering), INTEGRAL functions, ELECTRONIC structure, LANGEVIN equations, PERTURBATION theory
Authors: Khire, Subodh S., Nakajima, Takahito, Gadre, Shridhar R.
Source: Journal of Chemical Physics; 11/14/2023, Vol. 159 Issue 18, p1-9, 9p
Subject Terms: MOLECULAR clusters, MOLECULAR shapes, WATER clusters, PERTURBATION theory, ALGORITHMS
Source: Journal of Chemical Physics; 11/14/2023, Vol. 159 Issue 18, p1-13, 13p
Subject Terms: PERTURBATION theory, T-matrix, IONIZATION energy, SMALL molecules, EIGENVECTORS
Authors: Jin, Jaehyeok, Hwang, Jisung, Voth, Gregory A.
Source: Journal of Chemical Physics; 11/14/2023, Vol. 159 Issue 18, p1-27, 27p
Subject Terms: FORCE & energy, PERTURBATION theory, LIQUIDS, INTEGRAL equations, GAUSSIAN function, EQUATIONS of state
Authors: Vindel-Zandbergen, Patricia, Kȩdziera, Dariusz, Żółtowski, Michał, Kłos, Jacek, Żuchowski, Piotr, Felker, Peter M., Lique, François, Bačić, Zlatko
Source: Journal of Chemical Physics; 11/7/2023, Vol. 159 Issue 17, p1-14, 14p
Subject Terms: POTENTIAL energy surfaces, DENSITY functionals, PERTURBATION theory, DENSITY functional theory, MICROWAVE measurements
Authors: Carter-Fenk, Kevin, Shee, James, Head-Gordon, Martin
Source: Journal of Chemical Physics; 11/7/2023, Vol. 159 Issue 17, p1-8, 8p
Subject Terms: PERTURBATION theory, REGULARIZATION parameter, THERMOCHEMISTRY, TRANSITION metals, SMALL molecules
Authors: Hanasaki, Kota, Takatsuka, Kazuo
Source: Journal of Chemical Physics; 10/14/2023, Vol. 159 Issue 14, p1-23, 23p
Subject Terms: RADICALS (Chemistry), AB-initio calculations, PERTURBATION theory, CHEMICAL bonds, FLUX flow
Authors: Savin, Andreas, Karwowski, Jacek
Source: Journal of Chemical Physics; 10/7/2023, Vol. 159 Issue 13, p1-7, 7p
Subject Terms: PERTURBATION theory, ELECTRONS, TAYLOR'S series, GENERALIZATION
Source: Journal of Chemical Physics; 9/28/2023, Vol. 159 Issue 12, p1-9, 9p
Subject Terms: POTENTIAL energy surfaces, QUASIMOLECULES, PERTURBATION theory, NATURAL orbitals, FRACTIONS, EXCITED states
Authors: Larsson, Ernst D., Veryazov, Valera
Source: Journal of Chemical Physics; 9/21/2023, Vol. 159 Issue 11, p1-11, 11p
Subject Terms: ACTION spectrum, PERTURBATION theory, ELECTRONIC structure, DOPING agents (Chemistry)
Source: Journal of Chemical Physics; 9/21/2023, Vol. 159 Issue 11, p1-13, 13p
Subject Terms: RENORMALIZATION group, PERTURBATION theory, DENSITY matrices, ELECTRON configuration, POTENTIAL energy surfaces, RENORMALIZATION (Physics), ELECTRONIC structure
Authors: Qin, Xiuyi, Hirata, So
Source: Journal of Chemical Physics; 8/28/2023, Vol. 159 Issue 8, p1-52, 52p
Subject Terms: PERTURBATION theory, THERMODYNAMIC functions, SELF-consistent field theory, FEYNMAN diagrams, ENTROPY, GEOMETRIC quantization
Company/Entity: BOSE Corp.
People: EINSTEIN, Albert, 1879-1955
Authors: Shafei, Rami, Hamano, Ai, Gourlaouen, Christophe, Maganas, Dimitrios, Takano, Keiko, Daniel, Chantal, Neese, Frank
Source: Journal of Chemical Physics; 8/28/2023, Vol. 159 Issue 8, p1-21, 21p
Subject Terms: TRANSITION metal complexes, OPTICAL spectra, CIRCULAR dichroism, PERTURBATION theory, LIGHT absorption, PHOTOLUMINESCENCE measurement, CHIRALITY of nuclear particles, PHOTOLUMINESCENCE
Authors: Chiang, Tse-Min, Schatz, George C.
Source: Journal of Chemical Physics; 8/21/2023, Vol. 159 Issue 7, p1-10, 10p
Subject Terms: QUANTUM interference, QUANTUM dots, PERTURBATION theory, ABSORPTION, MOLECULES, PHOTON pairs, ELECTRON donors
Authors: Ishikawa, Kiyoshi
Source: Journal of Chemical Physics; 8/14/2023, Vol. 159 Issue 6, p1-10, 10p
Subject Terms: ALKALI metals, PSEUDOPOTENTIAL method, ELECTRON scattering, PERTURBATION theory, ATOMS, HYPERFINE coupling, NUMERICAL calculations, NOBLE gases
Authors: Wei, Ziyang, Yan, George, Sautet, Philippe
Source: Journal of Chemical Physics; 8/7/2023, Vol. 159 Issue 5, p1-6, 6p
Subject Terms: PERTURBATION theory, SURFACE properties, DENSITY functional theory, SURFACE energy, FUNCTIONALS
Authors: Vysotskiy, Victor P., Torbjörnsson, Magne, Jiang, Hao, Larsson, Ernst D., Cao, Lili, Ryde, Ulf, Zhai, Huanchen, Lee, Seunghoon, Chan, Garnet Kin-Lic
Source: Journal of Chemical Physics; 7/28/2023, Vol. 159 Issue 4, p1-13, 13p
Subject Terms: NITROGENASES, FUNCTIONALS, PERTURBATION theory, DENSITY functional theory, ELECTRON configuration, TEST systems
Authors: Villot, Corentin, Huang, Tong, Lao, Ka Un
Source: Journal of Chemical Physics; 7/28/2023, Vol. 159 Issue 4, p1-12, 12p
Subject Terms: MACHINE learning, DENSITY functionals, PERTURBATION theory, CARTESIAN coordinates, ELECTRON density, ELECTRONIC structure, QUANTUM correlations