Isotope effect in the Morse approximation of the ground state term of hydrogen molecule nH2, n = 1-7. Herzberg anomaly and anharmonicity
Fuente:
arXiv
Saved in:
| Main Authors: | Denisov, Gleb S., Chakalov, Edem R., Tolstoy, Peter M. |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Approximation of the electronic terms of diatomic molecules by the Morse function. The role of anharmonicity. II. Simple terms
by: Denisov, G. S., et al.
Published: (2024)
by: Denisov, G. S., et al.
Published: (2024)
The role of anharmonicity in single-molecule spin-crossover
by: Guan, Chuan, et al.
Published: (2024)
by: Guan, Chuan, et al.
Published: (2024)
Isotope effect on the anomalies of water: a corresponding states analysis
by: Caupin, Frédéric, et al.
Published: (2021)
by: Caupin, Frédéric, et al.
Published: (2021)
Light-induced photodissociation on the lowest three electronic states of NaH molecule
by: Umarov, Otabek, et al.
Published: (2024)
by: Umarov, Otabek, et al.
Published: (2024)
Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
by: Jasrasaria, Dipti, et al.
Published: (2024)
by: Jasrasaria, Dipti, et al.
Published: (2024)
A quantum chemistry dataset containing ground-state and conical-intersection structures of 260k molecules
by: Zhang, Jiahui, et al.
Published: (2026)
by: Zhang, Jiahui, et al.
Published: (2026)
Precision ground-state energy calculation for the water molecule on a superconducting quantum processor
by: Jones, Michael A., et al.
Published: (2023)
by: Jones, Michael A., et al.
Published: (2023)
Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues
by: Komasa, Jacek
Published: (2025)
by: Komasa, Jacek
Published: (2025)
Optical formation of ultracold NaK$_2$ ground state molecules
by: Shammout, Baraa, et al.
Published: (2025)
by: Shammout, Baraa, et al.
Published: (2025)
Thermodynamic characterization of the ($H_{2}$ + $C_{3}H_{8}$) system significant for the hydrogen economy: Experimental ($p$, $ρ$, $T$) determination and equation-of-state modelling
by: Lozano-Martín, Daniel, et al.
Published: (2024)
by: Lozano-Martín, Daniel, et al.
Published: (2024)
Conductivity of an electron coupled to anharmonic phonons
by: Fetherolf, Jonathan H., et al.
Published: (2022)
by: Fetherolf, Jonathan H., et al.
Published: (2022)
n-alkanoate + n-alkane mixtures: folding of hydrocarbon chains of n-alkanoates
by: González, Juan Antonio, et al.
Published: (2025)
by: González, Juan Antonio, et al.
Published: (2025)
Strong-field effects in the photo-induced dissociation of the hydrogen molecule on a silver nanoshell
by: Koval, Natalia E., et al.
Published: (2024)
by: Koval, Natalia E., et al.
Published: (2024)
Research of the anharmonic effect on the main reactions related to NH3, NH2, and NH
by: Yufeng Chen, et al.
Published: (2024)
by: Yufeng Chen, et al.
Published: (2024)
Harmonic-to-anharmonic thermodynamic integration made simple using REG TI
by: Kapil, Venkat
Published: (2026)
by: Kapil, Venkat
Published: (2026)
Multi-reference GW approximation for strongly correlated molecules
by: Wang, Yuqi, et al.
Published: (2026)
by: Wang, Yuqi, et al.
Published: (2026)
An effective bath state approach to model infrared spectroscopy and intramolecular dynamics in complex molecules
by: Attal, Loïse, et al.
Published: (2025)
by: Attal, Loïse, et al.
Published: (2025)
Local density approximation for excited states
by: Gould, Tim, et al.
Published: (2023)
by: Gould, Tim, et al.
Published: (2023)
Absolute standard hydrogen electrode potential and redox potentials of atoms and molecules: machine learning aided first principles calculations
by: Jinnouchi, Ryosuke, et al.
Published: (2024)
by: Jinnouchi, Ryosuke, et al.
Published: (2024)
Disorder-induced non-Gaussian states in large ensembles of cavity-coupled molecules
by: Schwengelbeck, R., et al.
Published: (2026)
by: Schwengelbeck, R., et al.
Published: (2026)
The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules
by: Mariano, Lorenzo A., et al.
Published: (2024)
by: Mariano, Lorenzo A., et al.
Published: (2024)
Energy shifts in predissociating levels of diatomic molecules: The case of N$_2$ (C$''^5Π_u$) and N$_2$(1$^7Σ^+_u$) interacting states
by: Ventura, Laiz R., et al.
Published: (2025)
by: Ventura, Laiz R., et al.
Published: (2025)
Full quantum state control of chiral molecules
by: Lee, JuHyeon, et al.
Published: (2024)
by: Lee, JuHyeon, et al.
Published: (2024)
Long-range states in collisions of ultracold molecules
by: Croft, James F. E., et al.
Published: (2026)
by: Croft, James F. E., et al.
Published: (2026)
Capturing anharmonic effects in single vibronic level fluorescence spectra using local harmonic Hagedorn wavepacket dynamics
by: Zhang, Zhan Tong, et al.
Published: (2024)
by: Zhang, Zhan Tong, et al.
Published: (2024)
Relativistic and quantum electrodynamics effects on NMR shielding tensors of Tl$X$ ($X$ = H, F, Cl, Br, I, At) molecules
by: Kozioł, Karol, et al.
Published: (2024)
by: Kozioł, Karol, et al.
Published: (2024)
Probing voltage-induced chemical reactions and anharmonicity with a confined vacuum light field
by: Ke, Yaling
Published: (2025)
by: Ke, Yaling
Published: (2025)
Quantum circuit and mapping algorithms for wavepacket dynamics: case study of anharmonic hydrogen bonds in protonated and hydroxide water clusters
by: Saha, Debadrita, et al.
Published: (2024)
by: Saha, Debadrita, et al.
Published: (2024)
Optimization of random phase approximation calculations for improved energies of molecules, solids, and surfaces
by: Yu, Neung-Kyung, et al.
Published: (2026)
by: Yu, Neung-Kyung, et al.
Published: (2026)
Generalized coupled cluster theory for ground and excited state intersections
by: Rossi, Federico, et al.
Published: (2024)
by: Rossi, Federico, et al.
Published: (2024)
Unusual chemical bond and spectrum of beryllium dimer in ground $X^1Σ_g^+$ state
by: Mitin, A. V., et al.
Published: (2023)
by: Mitin, A. V., et al.
Published: (2023)
Isomer- and state-dependent ion-molecule reactions between Coulomb-crystallised Ca$^+$ ions and 1,2-dichloroethene
by: Xu, Lei, et al.
Published: (2025)
by: Xu, Lei, et al.
Published: (2025)
Computing excited states of molecules using normalizing flows
by: Saleh, Yahya, et al.
Published: (2023)
by: Saleh, Yahya, et al.
Published: (2023)
Bound-state relativistic quantum electrodynamics: a perspective for precision physics with atoms and molecules
by: Nonn, Ádám, et al.
Published: (2024)
by: Nonn, Ádám, et al.
Published: (2024)
First principles simulation of the collective rovibronic ground state in a cavity
by: Krupp, Niclas, et al.
Published: (2025)
by: Krupp, Niclas, et al.
Published: (2025)
Relativistic unitary coupled cluster method for ground-state molecular properties
by: Majee, Kamal, et al.
Published: (2025)
by: Majee, Kamal, et al.
Published: (2025)
Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates
by: Jasrasaria, Dipti, et al.
Published: (2024)
by: Jasrasaria, Dipti, et al.
Published: (2024)
Influence of cholesterol on hydrogen-bond dynamics of water molecules in lipid-bilayer systems at varying temperatures
by: Shikata, Kokoro, et al.
Published: (2024)
by: Shikata, Kokoro, et al.
Published: (2024)
Are nonequilibrium effects relevant for chiral molecule discrimination?
by: Ravera, Federico, et al.
Published: (2025)
by: Ravera, Federico, et al.
Published: (2025)
Density functional theory beyond the Born-Oppenheimer approximation: Exact mapping onto an electronically non-interacting Kohn-Sham molecule
by: Fromager, Emmanuel, et al.
Published: (2023)
by: Fromager, Emmanuel, et al.
Published: (2023)
Similar Items
-
Approximation of the electronic terms of diatomic molecules by the Morse function. The role of anharmonicity. II. Simple terms
by: Denisov, G. S., et al.
Published: (2024) -
The role of anharmonicity in single-molecule spin-crossover
by: Guan, Chuan, et al.
Published: (2024) -
Isotope effect on the anomalies of water: a corresponding states analysis
by: Caupin, Frédéric, et al.
Published: (2021) -
Light-induced photodissociation on the lowest three electronic states of NaH molecule
by: Umarov, Otabek, et al.
Published: (2024) -
Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
by: Jasrasaria, Dipti, et al.
Published: (2024)