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ABSTRACT The Great Valley forearc (GVf) basin, California, records deposition along the western margin of North America during active oceanic subduction from Jurassic through Paleogene time. Along the western GVf, its underlying basement, the Coast Range Ophiolite (CRO), is exposed as a narrow outcrop belt. CRO segments are overlain by the Great Valley Group (GVG), and locally, an ophiolitic breccia separates the CRO from basal GVG strata. New stratigraphic, petrographic, and geochronologic data (3865 detrital and 68 igneous zircon U-Pb ages) from the upper CRO, ophiolitic breccia, and basal GVG strata clarify temporal relationships among the three units, constrain maximum depositional ages (MDAs), and identify provenance signatures of the ophiolitic breccia and basal GVG strata. Gabbroic rocks from the upper CRO yield zircon U-Pb ages of 168.0 ± 1.3 Ma and 165.1 ± 1.2 Ma. Prominent detrital-zircon age populations of the ophiolitic breccia and GVG strata comprise Jurassic and Jurassic–Early Cretaceous ages, respectively, with pre-Mesozoic ages in both that are consistent with sources of North America affinity. Combined with petrographic modal analyses that show abundant volcanic grains (> 50%), we interpret the breccia to be mainly derived from the underlying CRO, with limited input from the hinterland of North America, and the basal GVG to be derived from Mesozoic igneous and volcanic rocks of the Sierra Nevada–Klamath magmatic arc and hinterland. Analysis of detrital-zircon grains from the lower and upper ophiolitic breccia yields MDAs of ∼ 166 Ma and ∼ 151 Ma, respectively. Along-strike variation in Jurassic and Cretaceous MDAs from basal GVG strata range from ∼ 148 to 141 Ma, which are interpreted to reflect diachronous deposition in segmented depocenters during early development of the forearc. The ophiolitic breccia was deposited in a forearc position proximal to North America < 4 Myr before the onset of GVG deposition. A new tectonic model for early development of the GVf highlights the role of forearc extension coeval with magmatic arc compression during the earliest stages of basin development. 

ABSTRACT The Great Valley forearc (GVf) basin, California, records deposition along the western margin of North America during active oceanic subduction from Jurassic through Paleogene time. Along the western GVf, its underlying basement, the Coast Range Ophiolite (CRO), is exposed as a narrow outcrop belt. CRO segments are overlain by the Great Valley Group (GVG), and locally, an ophiolitic breccia separates the CRO from basal GVG strata. New stratigraphic, petrographic, and geochronologic data (3865 detrital and 68 igneous zircon U-Pb ages) from the upper CRO, ophiolitic breccia, and basal GVG strata clarify temporal relationships among the three units, constrain maximum depositional ages (MDAs), and identify provenance signatures of the ophiolitic breccia and basal GVG strata. Gabbroic rocks from the upper CRO yield zircon U-Pb ages of 168.0 ± 1.3 Ma and 165.1 ± 1.2 Ma. Prominent detrital-zircon age populations of the ophiolitic breccia and GVG strata comprise Jurassic and Jurassic–Early Cretaceous ages, respectively, with pre-Mesozoic ages in both that are consistent with sources of North America affinity. Combined with petrographic modal analyses that show abundant volcanic grains (> 50%), we interpret the breccia to be mainly derived from the underlying CRO, with limited input from the hinterland of North America, and the basal GVG to be derived from Mesozoic igneous and volcanic rocks of the Sierra Nevada–Klamath magmatic arc and hinterland. Analysis of detrital-zircon grains from the lower and upper ophiolitic breccia yields MDAs of ∼ 166 Ma and ∼ 151 Ma, respectively. Along-strike variation in Jurassic and Cretaceous MDAs from basal GVG strata range from ∼ 148 to 141 Ma, which are interpreted to reflect diachronous deposition in segmented depocenters during early development of the forearc. The ophiolitic breccia was deposited in a forearc position proximal to North America < 4 Myr before the onset of GVG deposition. A new tectonic model for early development of the GVf highlights the role of forearc extension coeval with magmatic arc compression during the earliest stages of basin development. 

Molecular dynamics simulations often classically evolve the nuclear geometry on adiabatic potential energy surfaces (PESs), punctuated by random hops between energy levels in regions of strong coupling, in an algorithm known as surface hopping. However, the computational expense of integrating the geometry on a full-dimensional PES and computing the required couplings can quickly become prohibitive as the number of atoms increases. In this work, we describe a method for surface hopping that uses only important reaction coordinates, performs all expensive evaluations of the true PESs and couplings only once before simulating dynamics (offline), and then queries the stored values during the surface hopping simulation (online). Our Python codes are freely available on GitHub. Using photodissociation of azomethane as a test case, this method is able to reproduce experimental results that have thus far eluded ab initio surface hopping studies. 

Abstract Electronic structure calculations on small systems such as H₂, H₂O, LiH, and BeH₂with chemical accuracy are still a challenge for the current generation of noisy intermediate‐scale quantum (NISQ) devices. One of the reasons is that due to the device limitations, only minimal basis sets are commonly applied in quantum chemical calculations, which allows one to keep the number of qubits employed in the calculations at a minimum. However, the use of minimal basis sets leads to very large errors in the computed molecular energies as well as potential energy surface shapes. One way to increase the accuracy of electronic structure calculations is through the development of small basis sets better suited for quantum computing. In this work, we show that the use of adaptive basis sets, in which exponents and contraction coefficients depend on molecular structure, provides an easy way to dramatically improve the accuracy of quantum chemical calculations without the need to increase the basis set size and thus the number of qubits utilized in quantum circuits. As a proof of principle, we optimize an adaptive minimal basis set for quantum computing calculations on an H₂molecule, in which exponents and contraction coefficients depend on the HH distance, and apply it to the generation of H₂potential energy surface on IBM‐Q quantum devices. The adaptive minimal basis set reaches the accuracy of the double‐zeta basis sets, thus allowing one to perform double‐zeta quality calculations on quantum devices without the need to utilize twice as many qubits in simulations. This approach can be extended to other molecular systems and larger basis sets in a straightforward manner.